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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-methoxy-4-phenylmethoxy-benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-benzyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-phenylmethoxybenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-methoxy-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-3-methoxy-benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCCCCC2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCCCCC2)OCC3=CC=CC=C3

InChI

InChI=1S/C23H27NO5/c1-27-21-15-19(11-12-20(21)28-16-18-9-5-4-6-10-18)23(26)29-17-22(25)24-13-7-2-3-8-14-24/h4-6,9-12,15H,2-3,7-8,13-14,16-17H2,1H3