1-[(3-methylphenyl)-phenyl-carbamoyl]-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid

Systemtic Name: 1-[(3-methylphenyl)-phenyl-carbamoyl]-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid Openeye Name: 4-benzyloxycarbonyl-1-[m-tolyl(phenyl)carbamoyl]piperazine-2-carboxylic acid CAS Name: 1-[(N-(3-methylphenyl)anilino)-oxomethyl]-4-phenylmethoxycarbonyl-2-piperazinecarboxylic acid IUPAC Name: 1-[(3-methylphenyl)-phenylcarbamoyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid Traditional Name: 4-carbobenzoxy-1-[m-tolyl(phenyl)carbamoyl]piperazine-2-carboxylic acid Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2=CC=CC=C2)C(=O)N3CCN(CC3C(=O)O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N(C2=CC=CC=C2)C(=O)N3CCN(CC3C(=O)O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O5/c1-20-9-8-14-23(17-20)30(22-12-6-3-7-13-22)26(33)29-16-15-28(18-24(29)25(31)32)27(34)35-19-21-10-4-2-5-11-21/h2-14,17,24H,15-16,18-19H2,1H3,(H,31,32)