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

Systemtic Name: (2S)-1-[(3,5-dimethylphenyl)-phenyl-carbamoyl]piperazine-2-carboxylic acid Openeye Name: (2S)-1-[(3,5-dimethylphenyl)-phenyl-carbamoyl]piperazine-2-carboxylic acid CAS Name: (2S)-1-[(N-(3,5-dimethylphenyl)anilino)-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: (2S)-1-[(3,5-dimethylphenyl)-phenylcarbamoyl]piperazine-2-carboxylic acid Traditional Name: (2S)-1-[(3,5-dimethylphenyl)-phenyl-carbamoyl]piperazine-2-carboxylic acid Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(C2=CC=CC=C2)C(=O)N3CCNCC3C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(C2=CC=CC=C2)C(=O)N3CCNC[C@H]3C(=O)O)C

InChI

InChI=1S/C20H23N3O3/c1-14-10-15(2)12-17(11-14)23(16-6-4-3-5-7-16)20(26)22-9-8-21-13-18(22)19(24)25/h3-7,10-12,18,21H,8-9,13H2,1-2H3,(H,24,25)/t18-/m0/s1