4-[2-(aminomethyl)-3-[(3-methylphenyl)methylamino]phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-(aminomethyl)-3-[(3-methylphenyl)methylamino]phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-(aminomethyl)-3-(m-tolylmethylamino)phenyl]piperazine-1-carboxylic acid CAS Name: 4-[2-(aminomethyl)-3-[(3-methylphenyl)methylamino]phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-(aminomethyl)-3-[(3-methylphenyl)methylamino]phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-(aminomethyl)-3-[(3-methylbenzyl)amino]phenyl]piperazine-1-carboxylic acid Formula: C20H26N4O2 MolecularWeight: 354.44604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC2=CC=CC(=C2CN)N3CCN(CC3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CNC2=CC=CC(=C2CN)N3CCN(CC3)C(=O)O

InChI

InChI=1S/C20H26N4O2/c1-15-4-2-5-16(12-15)14-22-18-6-3-7-19(17(18)13-21)23-8-10-24(11-9-23)20(25)26/h2-7,12,22H,8-11,13-14,21H2,1H3,(H,25,26)