[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-pentoxybenzoate

Systemtic Name: [2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-pentoxybenzoate Openeye Name: [2-(2,5-dimethoxyanilino)-2-oxo-ethyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [2-(2,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [2-(2,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C22H27NO6/c1-4-5-6-13-28-17-9-7-16(8-10-17)22(25)29-15-21(24)23-19-14-18(26-2)11-12-20(19)27-3/h7-12,14H,4-6,13,15H2,1-3H3,(H,23,24)