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

Systemtic Name: ethanedioic acid; [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(1-naphthyl)methanone; oxalic acid CAS Name: [4-[(4-methoxyphenyl)methyl]-1-piperazinyl]-(1-naphthalenyl)methanone; oxalic acid IUPAC Name: [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone; oxalic acid Traditional Name: 1-naphthyl-(4-p-anisylpiperazino)methanone; oxalic acid Formula: C25H26N2O6 MolecularWeight: 450.48374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

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