[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanone; ethanedioic acid

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanone; ethanedioic acid Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(1-naphthylmethyl)-4-piperidyl]methanone; oxalic acid CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[1-(1-naphthalenylmethyl)-4-piperidinyl]methanone; oxalic acid IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanone; oxalic acid Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-[1-(1-naphthylmethyl)-4-piperidyl]methanone; oxalic acid Formula: C31H37N3O5 MolecularWeight: 531.64258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCN(CC3)CC4=CC=CC5=CC=CC=C54)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCN(CC3)CC4=CC=CC5=CC=CC=C54)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C29H35N3O.C2H2O4/c1-22-7-5-12-28(23(22)2)31-17-19-32(20-18-31)29(33)25-13-15-30(16-14-25)21-26-10-6-9-24-8-3-4-11-27(24)26;3-1(4)2(5)6/h3-12,25H,13-21H2,1-2H3;(H,3,4)(H,5,6)