[4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-naphthalen-1-yl-methanone; ethanedioic acid

Systemtic Name: [4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-naphthalen-1-yl-methanone; ethanedioic acid Openeye Name: [4-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperazin-1-yl]-(1-naphthyl)methanone; oxalic acid CAS Name: [4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1-piperazinyl]-(1-naphthalenyl)methanone; oxalic acid IUPAC Name: [4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone; oxalic acid Traditional Name: [4-(4-hydroxy-3,5-dimethoxy-benzyl)piperazino]-(1-naphthyl)methanone; oxalic acid Formula: C26H28N2O8 MolecularWeight: 496.50912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H26N2O4.C2H2O4/c1-29-21-14-17(15-22(30-2)23(21)27)16-25-10-12-26(13-11-25)24(28)20-9-5-7-18-6-3-4-8-19(18)20;3-1(4)2(5)6/h3-9,14-15,27H,10-13,16H2,1-2H3;(H,3,4)(H,5,6)