ethyl 2-[(diphenylmethylidene)amino]-4-oxidanyl-5-(7-oxidanylideneazepan-2-yl)pentanoate

Systemtic Name: ethyl 2-[(diphenylmethylidene)amino]-4-oxidanyl-5-(7-oxidanylideneazepan-2-yl)pentanoate Openeye Name: ethyl 2-(benzhydrylideneamino)-4-hydroxy-5-(7-oxoazepan-2-yl)pentanoate CAS Name: 2-[(diphenylmethylene)amino]-4-hydroxy-5-(7-oxo-2-azepanyl)pentanoic acid ethyl ester IUPAC Name: ethyl 2-(benzhydrylideneamino)-4-hydroxy-5-(7-oxoazepan-2-yl)pentanoate Traditional Name: 2-(benzhydrylideneamino)-4-hydroxy-5-(7-ketoazepan-2-yl)valeric acid ethyl ester Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(CC1CCCCC(=O)N1)O)N=C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CC(CC1CCCCC(=O)N1)O)N=C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H32N2O4/c1-2-32-26(31)23(18-22(29)17-21-15-9-10-16-24(30)27-21)28-25(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,21-23,29H,2,9-10,15-18H2,1H3,(H,27,30)