2-[2-[(1-methoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-6,7-dimethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[2-[(1-methoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-6,7-dimethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-[(1-methoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-6,7-dimethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-6,7-dimethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-6,7-dimethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-[(1-carbomethoxy-3-phenyl-propyl)amino]propanoyl]-6,7-dimethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CN(C(CC2=C1)C(=O)O)C(=O)C(C)NC(CCC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C2CN(C(CC2=C1)C(=O)O)C(=O)C(C)NC(CCC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C26H32N2O5/c1-16-12-20-14-23(25(30)31)28(15-21(20)13-17(16)2)24(29)18(3)27-22(26(32)33-4)11-10-19-8-6-5-7-9-19/h5-9,12-13,18,22-23,27H,10-11,14-15H2,1-4H3,(H,30,31)