2-ethoxycarbonyl-2-[methyl-(2-oxidanylidene-7-phenyl-azepan-1-yl)amino]-4-phenyl-butanoic acid

Systemtic Name: 2-ethoxycarbonyl-2-[methyl-(2-oxidanylidene-7-phenyl-azepan-1-yl)amino]-4-phenyl-butanoic acid Openeye Name: 2-ethoxycarbonyl-2-[methyl-(2-oxo-7-phenyl-azepan-1-yl)amino]-4-phenyl-butanoic acid CAS Name: 2-ethoxycarbonyl-2-[methyl-(2-oxo-7-phenyl-1-azepanyl)amino]-4-phenylbutanoic acid IUPAC Name: 2-ethoxycarbonyl-2-[methyl-(2-oxo-7-phenylazepan-1-yl)amino]-4-phenylbutanoic acid Traditional Name: 2-carbethoxy-2-[(2-keto-7-phenyl-azepan-1-yl)-methyl-amino]-4-phenyl-butyric acid Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)(C(=O)O)N(C)N2C(CCCCC2=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)(C(=O)O)N(C)N2C(CCCCC2=O)C3=CC=CC=C3

InChI

InChI=1S/C26H32N2O5/c1-3-33-25(32)26(24(30)31,19-18-20-12-6-4-7-13-20)27(2)28-22(16-10-11-17-23(28)29)21-14-8-5-9-15-21/h4-9,12-15,22H,3,10-11,16-19H2,1-2H3,(H,30,31)