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

Systemtic Name: ethanedioic acid; [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(1-naphthyl)methanone; oxalic acid CAS Name: [4-[(4-ethylphenyl)methyl]-1-piperazinyl]-(1-naphthalenyl)methanone; oxalic acid IUPAC Name: [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone; oxalic acid Traditional Name: [4-(4-ethylbenzyl)piperazino]-(1-naphthyl)methanone; oxalic acid Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H26N2O.C2H2O4/c1-2-19-10-12-20(13-11-19)18-25-14-16-26(17-15-25)24(27)23-9-5-7-21-6-3-4-8-22(21)23;3-1(4)2(5)6/h3-13H,2,14-18H2,1H3;(H,3,4)(H,5,6)