methyl 4-[[[(3S)-2-oxidanylideneazepan-3-yl]-(2-phenoxyethanoyl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[[(3S)-2-oxidanylideneazepan-3-yl]-(2-phenoxyethanoyl)amino]methyl]benzoate Openeye Name: methyl 4-[[[(3S)-2-oxoazepan-3-yl]-(2-phenoxyacetyl)amino]methyl]benzoate CAS Name: 4-[[[(3S)-2-oxo-3-azepanyl]-(1-oxo-2-phenoxyethyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(3S)-2-oxoazepan-3-yl]-(2-phenoxyacetyl)amino]methyl]benzoate Traditional Name: 4-[[[(3S)-2-ketoazepan-3-yl]-(2-phenoxyacetyl)amino]methyl]benzoic acid methyl ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(C2CCCCNC2=O)C(=O)COC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN([C@H]2CCCCNC2=O)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O5/c1-29-23(28)18-12-10-17(11-13-18)15-25(20-9-5-6-14-24-22(20)27)21(26)16-30-19-7-3-2-4-8-19/h2-4,7-8,10-13,20H,5-6,9,14-16H2,1H3,(H,24,27)/t20-/m0/s1