4-[2-(aminomethyl)-5-methoxy-3-[(phenylmethyl)amino]phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-(aminomethyl)-5-methoxy-3-[(phenylmethyl)amino]phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-(aminomethyl)-3-(benzylamino)-5-methoxy-phenyl]piperazine-1-carboxylic acid CAS Name: 4-[2-(aminomethyl)-5-methoxy-3-[(phenylmethyl)amino]phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-(aminomethyl)-3-(benzylamino)-5-methoxyphenyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-(aminomethyl)-3-(benzylamino)-5-methoxy-phenyl]piperazine-1-carboxylic acid Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)N2CCN(CC2)C(=O)O)CN)NCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C(=C1)N2CCN(CC2)C(=O)O)CN)NCC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O3/c1-27-16-11-18(22-14-15-5-3-2-4-6-15)17(13-21)19(12-16)23-7-9-24(10-8-23)20(25)26/h2-6,11-12,22H,7-10,13-14,21H2,1H3,(H,25,26)