methyl 3-[[4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[[4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl 3-[[4-(3,4-dimethylphenyl)-4-oxo-butanoyl]amino]-3-phenyl-propanoate CAS Name: 3-[[4-(3,4-dimethylphenyl)-1,4-dioxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-3-phenylpropanoate Traditional Name: 3-[[4-(3,4-dimethylphenyl)-4-keto-butanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4/c1-15-9-10-18(13-16(15)2)20(24)11-12-21(25)23-19(14-22(26)27-3)17-7-5-4-6-8-17/h4-10,13,19H,11-12,14H2,1-3H3,(H,23,25)