[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-[2-(3-methoxyanilino)-2-oxo-ethoxy]benzoate CAS Name: 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate Traditional Name: 4-[2-keto-2-(m-anisidino)ethoxy]benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)COC2=CC=C(C=C2)C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)COC2=CC=C(C=C2)C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C24H28N2O6/c1-30-21-8-6-7-19(15-21)25-22(27)16-31-20-11-9-18(10-12-20)24(29)32-17-23(28)26-13-4-2-3-5-14-26/h6-12,15H,2-5,13-14,16-17H2,1H3,(H,25,27)