ethanedioic acid; [4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-naphthalen-1-yl-methanone

Systemtic Name: ethanedioic acid; [4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperidyl]-(1-naphthyl)methanone; oxalic acid CAS Name: [4-[4-(2-methoxyphenyl)-1-piperazinyl]-1-piperidinyl]-(1-naphthalenyl)methanone; oxalic acid IUPAC Name: [4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-naphthalen-1-ylmethanone; oxalic acid Traditional Name: [4-[4-(2-methoxyphenyl)piperazino]piperidino]-(1-naphthyl)methanone; oxalic acid Formula: C29H33N3O6 MolecularWeight: 519.58882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3CCN(CC3)C(=O)C4=CC=CC5=CC=CC=C54.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3CCN(CC3)C(=O)C4=CC=CC5=CC=CC=C54.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H31N3O2.C2H2O4/c1-32-26-12-5-4-11-25(26)29-19-17-28(18-20-29)22-13-15-30(16-14-22)27(31)24-10-6-8-21-7-2-3-9-23(21)24;3-1(4)2(5)6/h2-12,22H,13-20H2,1H3;(H,3,4)(H,5,6)