ethanedioic acid; [1-[(4-ethylphenyl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: ethanedioic acid; [1-[(4-ethylphenyl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [1-[(4-ethylphenyl)methyl]-4-piperidyl]-(4-phenylpiperazin-1-yl)methanone; oxalic acid CAS Name: [1-[(4-ethylphenyl)methyl]-4-piperidinyl]-(4-phenyl-1-piperazinyl)methanone; oxalic acid IUPAC Name: [1-[(4-ethylphenyl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone; oxalic acid Traditional Name: [1-(4-ethylbenzyl)-4-piperidyl]-(4-phenylpiperazino)methanone; oxalic acid Formula: C27H35N3O5 MolecularWeight: 481.5839

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H33N3O.C2H2O4/c1-2-21-8-10-22(11-9-21)20-26-14-12-23(13-15-26)25(29)28-18-16-27(17-19-28)24-6-4-3-5-7-24;3-1(4)2(5)6/h3-11,23H,2,12-20H2,1H3;(H,3,4)(H,5,6)