methyl 4-[2-(2,2-dimethylpropanoylamino)-3-(4-methoxycarbonylphenyl)-5-methyl-phenyl]benzoate

Systemtic Name: methyl 4-[2-(2,2-dimethylpropanoylamino)-3-(4-methoxycarbonylphenyl)-5-methyl-phenyl]benzoate Openeye Name: methyl 4-[2-(2,2-dimethylpropanoylamino)-3-(4-methoxycarbonylphenyl)-5-methyl-phenyl]benzoate CAS Name: 4-[2-[(2,2-dimethyl-1-oxopropyl)amino]-3-(4-methoxycarbonylphenyl)-5-methylphenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(2,2-dimethylpropanoylamino)-3-(4-methoxycarbonylphenyl)-5-methylphenyl]benzoate Traditional Name: 4-[3-(4-carbomethoxyphenyl)-5-methyl-2-(pivaloylamino)phenyl]benzoic acid methyl ester Formula: C28H29NO5 MolecularWeight: 459.53356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=CC=C(C=C2)C(=O)OC)NC(=O)C(C)(C)C)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=CC=C(C=C2)C(=O)OC)NC(=O)C(C)(C)C)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C28H29NO5/c1-17-15-22(18-7-11-20(12-8-18)25(30)33-5)24(29-27(32)28(2,3)4)23(16-17)19-9-13-21(14-10-19)26(31)34-6/h7-16H,1-6H3,(H,29,32)