methyl 5-(4-methylpiperazin-1-yl)-2-[(phenylmethyl)amino]benzoate

Systemtic Name: methyl 5-(4-methylpiperazin-1-yl)-2-[(phenylmethyl)amino]benzoate Openeye Name: methyl 2-(benzylamino)-5-(4-methylpiperazin-1-yl)benzoate CAS Name: 5-(4-methyl-1-piperazinyl)-2-[(phenylmethyl)amino]benzoic acid methyl ester IUPAC Name: methyl 2-(benzylamino)-5-(4-methylpiperazin-1-yl)benzoate Traditional Name: 2-(benzylamino)-5-(4-methylpiperazino)benzoic acid methyl ester Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2/c1-22-10-12-23(13-11-22)17-8-9-19(18(14-17)20(24)25-2)21-15-16-6-4-3-5-7-16/h3-9,14,21H,10-13,15H2,1-2H3