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

Systemtic Name: ethanedioic acid; N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-phenyl-propanamide Openeye Name: N-methyl-2-[4-(m-tolylmethyl)piperazin-1-yl]-N-phenyl-propanamide; oxalic acid CAS Name: N-methyl-2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-N-phenylpropanamide; oxalic acid IUPAC Name: N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide; oxalic acid Traditional Name: N-methyl-2-[4-(3-methylbenzyl)piperazino]-N-phenyl-propionamide; oxalic acid Formula: C26H33N3O9 MolecularWeight: 531.55492

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H29N3O.2C2H2O4/c1-18-8-7-9-20(16-18)17-24-12-14-25(15-13-24)19(2)22(26)23(3)21-10-5-4-6-11-21;2*3-1(4)2(5)6/h4-11,16,19H,12-15,17H2,1-3H3;2*(H,3,4)(H,5,6)