ethanedioic acid; [1-[(3-methylphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: ethanedioic acid; [1-[(3-methylphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-(m-tolylmethyl)-3-piperidyl]-pyrrolidin-1-yl-methanone; oxalic acid CAS Name: [1-[(3-methylphenyl)methyl]-3-piperidinyl]-(1-pyrrolidinyl)methanone; oxalic acid IUPAC Name: [1-[(3-methylphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone; oxalic acid Traditional Name: [1-(3-methylbenzyl)-3-piperidyl]-pyrrolidino-methanone; oxalic acid Formula: C20H28N2O5 MolecularWeight: 376.44672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCC(C2)C(=O)N3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCCC(C2)C(=O)N3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H26N2O.C2H2O4/c1-15-6-4-7-16(12-15)13-19-9-5-8-17(14-19)18(21)20-10-2-3-11-20;3-1(4)2(5)6/h4,6-7,12,17H,2-3,5,8-11,13-14H2,1H3;(H,3,4)(H,5,6)