[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxy-benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxy-benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxy-benzoate CAS Name: 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate Traditional Name: 4-(2-chlorobenzyl)oxy-3-methoxy-benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C23H26ClNO5 MolecularWeight: 431.90924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCCCCC2)OCC3=CC=CC=C3Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCCCCC2)OCC3=CC=CC=C3Cl

InChI

InChI=1S/C23H26ClNO5/c1-28-21-14-17(10-11-20(21)29-15-18-8-4-5-9-19(18)24)23(27)30-16-22(26)25-12-6-2-3-7-13-25/h4-5,8-11,14H,2-3,6-7,12-13,15-16H2,1H3