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

Systemtic Name: 4-[2-(aminomethyl)-3-[(3-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-(aminomethyl)-3-[(3-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylic acid CAS Name: 4-[2-(aminomethyl)-3-[(3-fluorophenyl)methylamino]phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-(aminomethyl)-3-[(3-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-(aminomethyl)-3-[(3-fluorobenzyl)amino]phenyl]piperazine-1-carboxylic acid Formula: C19H23FN4O2 MolecularWeight: 358.409923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)NCC3=CC(=CC=C3)F)CN)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)NCC3=CC(=CC=C3)F)CN)C(=O)O

InChI

InChI=1S/C19H23FN4O2/c20-15-4-1-3-14(11-15)13-22-17-5-2-6-18(16(17)12-21)23-7-9-24(10-8-23)19(25)26/h1-6,11,22H,7-10,12-13,21H2,(H,25,26)