ethanedioic acid; 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide

Systemtic Name: ethanedioic acid; 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide Openeye Name: 2-[4-(m-tolylmethyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide; oxalic acid CAS Name: 2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-N-(1-phenylethyl)propanamide; oxalic acid IUPAC Name: 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide; oxalic acid Traditional Name: 2-[4-(3-methylbenzyl)piperazino]-N-(1-phenylethyl)propionamide; oxalic acid Formula: C27H35N3O9 MolecularWeight: 545.5815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(C)C(=O)NC(C)C3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(C)C(=O)NC(C)C3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H31N3O.2C2H2O4/c1-18-8-7-9-21(16-18)17-25-12-14-26(15-13-25)20(3)23(27)24-19(2)22-10-5-4-6-11-22;2*3-1(4)2(5)6/h4-11,16,19-20H,12-15,17H2,1-3H3,(H,24,27);2*(H,3,4)(H,5,6)