ethanedioic acid; (3-methoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; (3-methoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone Openeye Name: (3-methoxyphenyl)-[4-(1-naphthylmethyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (3-methoxyphenyl)-[4-(1-naphthalenylmethyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (3-methoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (3-methoxyphenyl)-[4-(1-naphthylmethyl)piperazino]methanone; oxalic acid Formula: C25H26N2O6 MolecularWeight: 450.48374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H24N2O2.C2H2O4/c1-27-21-10-5-8-19(16-21)23(26)25-14-12-24(13-15-25)17-20-9-4-7-18-6-2-3-11-22(18)20;3-1(4)2(5)6/h2-11,16H,12-15,17H2,1H3;(H,3,4)(H,5,6)