4-[4-[[4-methyl-2-(4-propan-2-ylphenyl)phenyl]carbonylamino]phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[4-[[4-methyl-2-(4-propan-2-ylphenyl)phenyl]carbonylamino]phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[4-[[2-(4-isopropylphenyl)-4-methyl-benzoyl]amino]phenyl]piperazine-1-carboxylic acid CAS Name: 4-[4-[[[4-methyl-2-(4-propan-2-ylphenyl)phenyl]-oxomethyl]amino]phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[4-[[4-methyl-2-(4-propan-2-ylphenyl)benzoyl]amino]phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[4-[(4-methyl-2-p-cumenyl-benzoyl)amino]phenyl]piperazine-1-carboxylic acid Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)O)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)O)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C28H31N3O3/c1-19(2)21-5-7-22(8-6-21)26-18-20(3)4-13-25(26)27(32)29-23-9-11-24(12-10-23)30-14-16-31(17-15-30)28(33)34/h4-13,18-19H,14-17H2,1-3H3,(H,29,32)(H,33,34)