3-phenylpropyl 4-[(2,5-dimethoxyphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[(2,5-dimethoxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-(2,5-dimethoxyanilino)-4-oxo-butanoate CAS Name: 4-(2,5-dimethoxyanilino)-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(2,5-dimethoxyanilino)-4-oxobutanoate Traditional Name: 4-(2,5-dimethoxyanilino)-4-keto-butyric acid 3-phenylpropyl ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO5/c1-25-17-10-11-19(26-2)18(15-17)22-20(23)12-13-21(24)27-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,15H,6,9,12-14H2,1-2H3,(H,22,23)