2-(3-chloranylphenoxy)-N-[(4-ethoxyphenyl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]ethanamide

Systemtic Name: 2-(3-chloranylphenoxy)-N-[(4-ethoxyphenyl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]ethanamide Openeye Name: 2-(3-chlorophenoxy)-N-[(4-ethoxyphenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]acetamide CAS Name: 2-(3-chlorophenoxy)-N-[(4-ethoxyphenyl)methyl]-N-[(3S)-2-oxo-3-azepanyl]acetamide IUPAC Name: 2-(3-chlorophenoxy)-N-[(4-ethoxyphenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]acetamide Traditional Name: 2-(3-chlorophenoxy)-N-(4-ethoxybenzyl)-N-[(3S)-2-ketoazepan-3-yl]acetamide Formula: C23H27ClN2O4 MolecularWeight: 430.92448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C2CCCCNC2=O)C(=O)COC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)CN([C@H]2CCCCNC2=O)C(=O)COC3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H27ClN2O4/c1-2-29-19-11-9-17(10-12-19)15-26(21-8-3-4-13-25-23(21)28)22(27)16-30-20-7-5-6-18(24)14-20/h5-7,9-12,14,21H,2-4,8,13,15-16H2,1H3,(H,25,28)/t21-/m0/s1