ethanedioic acid; [4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: ethanedioic acid; [4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(3-benzyloxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-(2-thienyl)methanone; oxalic acid CAS Name: [4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-piperazinyl]-thiophen-2-ylmethanone; oxalic acid IUPAC Name: [4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone; oxalic acid Traditional Name: [4-(3-benzoxy-4-methoxy-benzyl)piperazino]-(2-thienyl)methanone; oxalic acid Formula: C26H28N2O7S MolecularWeight: 512.57472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CS3)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CS3)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H26N2O3S.C2H2O4/c1-28-21-10-9-20(16-22(21)29-18-19-6-3-2-4-7-19)17-25-11-13-26(14-12-25)24(27)23-8-5-15-30-23;3-1(4)2(5)6/h2-10,15-16H,11-14,17-18H2,1H3;(H,3,4)(H,5,6)