methyl 3-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-2-oxidanylidene-7-phenyl-azepane-1-carboxylate

Systemtic Name: methyl 3-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-2-oxidanylidene-7-phenyl-azepane-1-carboxylate Openeye Name: methyl 3-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-2-oxo-7-phenyl-azepane-1-carboxylate CAS Name: 3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-oxo-7-phenyl-1-azepanecarboxylic acid methyl ester IUPAC Name: methyl 3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-oxo-7-phenylazepane-1-carboxylate Traditional Name: 3-[(1-carbethoxy-3-phenyl-propyl)amino]-2-keto-7-phenyl-azepane-1-carboxylic acid methyl ester Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCC(N(C2=O)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCC(N(C2=O)C(=O)OC)C3=CC=CC=C3

InChI

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