[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] 4-isopentyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(3-methylbutoxy)benzoic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-methoxy-4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxy-3-methoxy-benzoic acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester Formula: C25H33NO7 MolecularWeight: 459.53202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)OCCC(C)C)OC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)OCCC(C)C)OC)OCC

InChI

InChI=1S/C25H33NO7/c1-6-30-21-11-9-19(15-23(21)31-7-2)26-24(27)16-33-25(28)18-8-10-20(22(14-18)29-5)32-13-12-17(3)4/h8-11,14-15,17H,6-7,12-13,16H2,1-5H3,(H,26,27)