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

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(3-methylbutoxy)benzoate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] 4-isopentyloxybenzoate CAS Name: 4-(3-methylbutoxy)benzoic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxybenzoic acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C22H27NO6/c1-15(2)9-10-28-18-7-5-16(6-8-18)22(25)29-14-21(24)23-17-11-19(26-3)13-20(12-17)27-4/h5-8,11-13,15H,9-10,14H2,1-4H3,(H,23,24)