1-[(3,5-dimethylphenyl)-phenyl-carbamoyl]-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid

Systemtic Name: 1-[(3,5-dimethylphenyl)-phenyl-carbamoyl]-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid Openeye Name: 4-benzyloxycarbonyl-1-[(3,5-dimethylphenyl)-phenyl-carbamoyl]piperazine-2-carboxylic acid CAS Name: 1-[(N-(3,5-dimethylphenyl)anilino)-oxomethyl]-4-phenylmethoxycarbonyl-2-piperazinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-phenylcarbamoyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid Traditional Name: 4-carbobenzoxy-1-[(3,5-dimethylphenyl)-phenyl-carbamoyl]piperazine-2-carboxylic acid Formula: C28H29N3O5 MolecularWeight: 487.54696

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O5/c1-20-15-21(2)17-24(16-20)31(23-11-7-4-8-12-23)27(34)30-14-13-29(18-25(30)26(32)33)28(35)36-19-22-9-5-3-6-10-22/h3-12,15-17,25H,13-14,18-19H2,1-2H3,(H,32,33)