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

Systemtic Name: 3-phenylpropyl 4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-(2,5-dimethylanilino)-4-oxo-butanoate CAS Name: 4-(2,5-dimethylanilino)-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(2,5-dimethylanilino)-4-oxobutanoate Traditional Name: 4-(2,5-dimethylanilino)-4-keto-butyric acid 3-phenylpropyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO3/c1-16-10-11-17(2)19(15-16)22-20(23)12-13-21(24)25-14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,15H,6,9,12-14H2,1-2H3,(H,22,23)