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

Systemtic Name: (2S)-1-[(3-methylphenyl)-phenyl-carbamoyl]piperazine-2-carboxylic acid Openeye Name: (2S)-1-[m-tolyl(phenyl)carbamoyl]piperazine-2-carboxylic acid CAS Name: (2S)-1-[(N-(3-methylphenyl)anilino)-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: (2S)-1-[(3-methylphenyl)-phenylcarbamoyl]piperazine-2-carboxylic acid Traditional Name: (2S)-1-[m-tolyl(phenyl)carbamoyl]piperazine-2-carboxylic acid Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3/c1-14-6-5-9-16(12-14)22(15-7-3-2-4-8-15)19(25)21-11-10-20-13-17(21)18(23)24/h2-9,12,17,20H,10-11,13H2,1H3,(H,23,24)/t17-/m0/s1