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

Systemtic Name: 2-[2-(4-methylpiperazin-1-yl)ethanoyl-(phenylmethyl)amino]benzoic acid Openeye Name: 2-[benzyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]benzoic acid CAS Name: 2-[[2-(4-methyl-1-piperazinyl)-1-oxoethyl]-(phenylmethyl)amino]benzoic acid IUPAC Name: 2-[benzyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]benzoic acid Traditional Name: 2-[benzyl-[2-(4-methylpiperazino)acetyl]amino]benzoic acid Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CN1CCN(CC1)CC(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H25N3O3/c1-22-11-13-23(14-12-22)16-20(25)24(15-17-7-3-2-4-8-17)19-10-6-5-9-18(19)21(26)27/h2-10H,11-16H2,1H3,(H,26,27)