[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-butoxybenzoate

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-butoxybenzoate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C21H25NO6/c1-4-5-10-27-17-8-6-15(7-9-17)21(24)28-14-20(23)22-16-11-18(25-2)13-19(12-16)26-3/h6-9,11-13H,4-5,10,14H2,1-3H3,(H,22,23)