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

Systemtic Name: ethanedioic acid; 2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-propan-2-yl-propanamide Openeye Name: N-isopropyl-2-[4-(o-tolylmethyl)piperazin-1-yl]propanamide; oxalic acid CAS Name: 2-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-N-propan-2-ylpropanamide; oxalic acid IUPAC Name: 2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide; oxalic acid Traditional Name: N-isopropyl-2-[4-(2-methylbenzyl)piperazino]propionamide; oxalic acid Formula: C20H31N3O5 MolecularWeight: 393.47724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(C)C(=O)NC(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(C)C(=O)NC(C)C.C(=O)(C(=O)O)O

InChI

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