[4-[(2,4-dimethylphenyl)carbamoyl]phenyl] 3-(4-tert-butylphenyl)propanoate

Systemtic Name: [4-[(2,4-dimethylphenyl)carbamoyl]phenyl] 3-(4-tert-butylphenyl)propanoate Openeye Name: [4-[(2,4-dimethylphenyl)carbamoyl]phenyl] 3-(4-tert-butylphenyl)propanoate CAS Name: 3-(4-tert-butylphenyl)propanoic acid [4-[(2,4-dimethylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(2,4-dimethylphenyl)carbamoyl]phenyl] 3-(4-tert-butylphenyl)propanoate Traditional Name: 3-(4-tert-butylphenyl)propionic acid [4-[(2,4-dimethylphenyl)carbamoyl]phenyl] ester Formula: C28H31NO3 MolecularWeight: 429.55064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=O)CCC3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=O)CCC3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C28H31NO3/c1-19-6-16-25(20(2)18-19)29-27(31)22-10-14-24(15-11-22)32-26(30)17-9-21-7-12-23(13-8-21)28(3,4)5/h6-8,10-16,18H,9,17H2,1-5H3,(H,29,31)