ethyl 2-[[1-(2-methoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-7-phenyl-azepan-3-yl]amino]-4-phenyl-butanoate

Systemtic Name: ethyl 2-[[1-(2-methoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-7-phenyl-azepan-3-yl]amino]-4-phenyl-butanoate Openeye Name: ethyl 2-[[1-(2-methoxy-2-oxo-ethyl)-2-oxo-7-phenyl-azepan-3-yl]amino]-4-phenyl-butanoate CAS Name: 2-[[1-(2-methoxy-2-oxoethyl)-2-oxo-7-phenyl-3-azepanyl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[1-(2-methoxy-2-oxoethyl)-2-oxo-7-phenylazepan-3-yl]amino]-4-phenylbutanoate Traditional Name: 2-[[2-keto-1-(2-keto-2-methoxy-ethyl)-7-phenyl-azepan-3-yl]amino]-4-phenyl-butyric acid ethyl ester Formula: C27H34N2O5 MolecularWeight: 466.56926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O5/c1-3-34-27(32)23(18-17-20-11-6-4-7-12-20)28-22-15-10-16-24(21-13-8-5-9-14-21)29(26(22)31)19-25(30)33-2/h4-9,11-14,22-24,28H,3,10,15-19H2,1-2H3