methyl 4-[[[4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoyl]-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoyl]-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[4-(2,5-dimethylphenyl)-4-oxo-butanoyl]-methyl-amino]methyl]benzoate CAS Name: 4-[[[4-(2,5-dimethylphenyl)-1,4-dioxobutyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-methylamino]methyl]benzoate Traditional Name: 4-[[[4-(2,5-dimethylphenyl)-4-keto-butanoyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)N(C)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)N(C)CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H25NO4/c1-15-5-6-16(2)19(13-15)20(24)11-12-21(25)23(3)14-17-7-9-18(10-8-17)22(26)27-4/h5-10,13H,11-12,14H2,1-4H3