2,2-dimethyl-4-(2-methyl-5-oxidanylidene-pyrrolidin-1-yl)-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile; 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2,2-dimethyl-4-(2-methyl-5-oxidanylidene-pyrrolidin-1-yl)-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile; 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid; 3-hydroxy-2,2-dimethyl-4-(2-methyl-5-oxo-pyrrolidin-1-yl)chromane-6-carbonitrile CAS Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid; 3-hydroxy-2,2-dimethyl-4-(2-methyl-5-oxo-1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid; 3-hydroxy-2,2-dimethyl-4-(2-methyl-5-oxopyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: 2-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid; 3-hydroxy-4-(2-keto-5-methyl-pyrrolidino)-2,2-dimethyl-chroman-6-carbonitrile Formula: C42H50N4O8 MolecularWeight: 738.8684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O.CC1CCC(=O)N1C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O.CC1CCC(=O)N1C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O

InChI

InChI=1S/C25H30N2O5.C17H20N2O3/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30;1-10-4-7-14(20)19(10)15-12-8-11(9-18)5-6-13(12)22-17(2,3)16(15)21/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30);5-6,8,10,15-16,21H,4,7H2,1-3H3