2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-1-phenyl-1,2-diazinane-3-carboxylic acid

Systemtic Name: 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-1-phenyl-1,2-diazinane-3-carboxylic acid Openeye Name: 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-1-phenyl-hexahydropyridazine-3-carboxylic acid CAS Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-1-phenyl-3-diazinanecarboxylic acid IUPAC Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-1-phenyldiazinane-3-carboxylic acid Traditional Name: 2-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]-1-phenyl-hexahydropyridazine-3-carboxylic acid Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C(CCCN2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C(CCCN2C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H33N3O5/c1-3-34-26(33)22(17-16-20-11-6-4-7-12-20)27-19(2)24(30)29-23(25(31)32)15-10-18-28(29)21-13-8-5-9-14-21/h4-9,11-14,19,22-23,27H,3,10,15-18H2,1-2H3,(H,31,32)