ethanedioic acid; N-(3-methoxyphenyl)-2-[4-(phenylmethyl)piperazin-1-yl]propanamide

Systemtic Name: ethanedioic acid; N-(3-methoxyphenyl)-2-[4-(phenylmethyl)piperazin-1-yl]propanamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-(3-methoxyphenyl)propanamide; oxalic acid CAS Name: N-(3-methoxyphenyl)-2-[4-(phenylmethyl)-1-piperazinyl]propanamide; oxalic acid IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(3-methoxyphenyl)propanamide; oxalic acid Traditional Name: 2-(4-benzylpiperazino)-N-(3-methoxyphenyl)propionamide; oxalic acid Formula: C25H31N3O10 MolecularWeight: 533.52774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)OC)N2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)OC)N2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27N3O2.2C2H2O4/c1-17(21(25)22-19-9-6-10-20(15-19)26-2)24-13-11-23(12-14-24)16-18-7-4-3-5-8-18;2*3-1(4)2(5)6/h3-10,15,17H,11-14,16H2,1-2H3,(H,22,25);2*(H,3,4)(H,5,6)