ethanedioic acid; [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanone

Systemtic Name: ethanedioic acid; [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanone Openeye Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(2-thienylmethyl)-4-piperidyl]methanone; oxalic acid CAS Name: [4-(2-ethoxyphenyl)-1-piperazinyl]-[1-(thiophen-2-ylmethyl)-4-piperidinyl]methanone; oxalic acid IUPAC Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanone; oxalic acid Traditional Name: (4-o-phenetylpiperazino)-[1-(2-thenyl)-4-piperidyl]methanone; oxalic acid Formula: C25H33N3O6S MolecularWeight: 503.61102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCN(CC3)CC4=CC=CS4.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCN(CC3)CC4=CC=CS4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H31N3O2S.C2H2O4/c1-2-28-22-8-4-3-7-21(22)25-13-15-26(16-14-25)23(27)19-9-11-24(12-10-19)18-20-6-5-17-29-20;3-1(4)2(5)6/h3-8,17,19H,2,9-16,18H2,1H3;(H,3,4)(H,5,6)