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

Systemtic Name: ethanedioic acid; [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(1-naphthyl)methanone; oxalic acid CAS Name: [4-[(3-methoxyphenyl)methyl]-1-piperazinyl]-(1-naphthalenyl)methanone; oxalic acid IUPAC Name: [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone; oxalic acid Traditional Name: (4-m-anisylpiperazino)-(1-naphthyl)methanone; oxalic acid Formula: C25H26N2O6 MolecularWeight: 450.48374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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