5-(4-methylpiperazin-1-yl)-2-[(phenylmethyl)amino]benzoic acid

Systemtic Name: 5-(4-methylpiperazin-1-yl)-2-[(phenylmethyl)amino]benzoic acid Openeye Name: 2-(benzylamino)-5-(4-methylpiperazin-1-yl)benzoic acid CAS Name: 5-(4-methyl-1-piperazinyl)-2-[(phenylmethyl)amino]benzoic acid IUPAC Name: 2-(benzylamino)-5-(4-methylpiperazin-1-yl)benzoic acid Traditional Name: 2-(benzylamino)-5-(4-methylpiperazino)benzoic acid Formula: C19H23N3O2 MolecularWeight: 325.40482

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=C(C=C2)NCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C(C=C2)NCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H23N3O2/c1-21-9-11-22(12-10-21)16-7-8-18(17(13-16)19(23)24)20-14-15-5-3-2-4-6-15/h2-8,13,20H,9-12,14H2,1H3,(H,23,24)