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

Systemtic Name: ethanedioic acid; 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-propan-2-yl-propanamide Openeye Name: N-isopropyl-2-[4-(m-tolylmethyl)piperazin-1-yl]propanamide; oxalic acid CAS Name: 2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-N-propan-2-ylpropanamide; oxalic acid IUPAC Name: 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide; oxalic acid Traditional Name: N-isopropyl-2-[4-(3-methylbenzyl)piperazino]propionamide; oxalic acid Formula: C22H33N3O9 MolecularWeight: 483.51212

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H29N3O.2C2H2O4/c1-14(2)19-18(22)16(4)21-10-8-20(9-11-21)13-17-7-5-6-15(3)12-17;2*3-1(4)2(5)6/h5-7,12,14,16H,8-11,13H2,1-4H3,(H,19,22);2*(H,3,4)(H,5,6)