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

Systemtic Name: 1-[(3,5-dimethylphenyl)-phenyl-carbamoyl]-4-(dipentylcarbamoyl)piperazine-2-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-phenyl-carbamoyl]-4-(dipentylcarbamoyl)piperazine-2-carboxylic acid CAS Name: 1-[(N-(3,5-dimethylphenyl)anilino)-oxomethyl]-4-[(dipentylamino)-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-phenylcarbamoyl]-4-(dipentylcarbamoyl)piperazine-2-carboxylic acid Traditional Name: 4-(diamylcarbamoyl)-1-[(3,5-dimethylphenyl)-phenyl-carbamoyl]piperazine-2-carboxylic acid Formula: C31H44N4O4 MolecularWeight: 536.70546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)N1CCN(C(C1)C(=O)O)C(=O)N(C2=CC=CC=C2)C3=CC(=CC(=C3)C)C

Isomeric SMILES

CCCCCN(CCCCC)C(=O)N1CCN(C(C1)C(=O)O)C(=O)N(C2=CC=CC=C2)C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C31H44N4O4/c1-5-7-12-16-32(17-13-8-6-2)30(38)33-18-19-34(28(23-33)29(36)37)31(39)35(26-14-10-9-11-15-26)27-21-24(3)20-25(4)22-27/h9-11,14-15,20-22,28H,5-8,12-13,16-19,23H2,1-4H3,(H,36,37)