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

Systemtic Name: ethanedioic acid; [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(1-naphthyl)methanone; oxalic acid CAS Name: [4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]-(1-naphthalenyl)methanone; oxalic acid IUPAC Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone; oxalic acid Traditional Name: [4-(4-ethoxybenzyl)piperazino]-(1-naphthyl)methanone; oxalic acid Formula: C26H28N2O6 MolecularWeight: 464.51032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H26N2O2.C2H2O4/c1-2-28-21-12-10-19(11-13-21)18-25-14-16-26(17-15-25)24(27)23-9-5-7-20-6-3-4-8-22(20)23;3-1(4)2(5)6/h3-13H,2,14-18H2,1H3;(H,3,4)(H,5,6)