ethanedioic acid; 2-[[2-(1H-indol-3-yl)-2-thiophen-2-yl-ethyl]amino]-1-phenyl-ethanol

Systemtic Name: ethanedioic acid; 2-[[2-(1H-indol-3-yl)-2-thiophen-2-yl-ethyl]amino]-1-phenyl-ethanol Openeye Name: 2-[[2-(1H-indol-3-yl)-2-(2-thienyl)ethyl]amino]-1-phenyl-ethanol; oxalic acid CAS Name: 2-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-1-phenylethanol; oxalic acid IUPAC Name: 2-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-1-phenylethanol; oxalic acid Traditional Name: 2-[[2-(1H-indol-3-yl)-2-(2-thienyl)ethyl]amino]-1-phenyl-ethanol; oxalic acid Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNCC(C2=CC=CS2)C3=CNC4=CC=CC=C43)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CNCC(C2=CC=CS2)C3=CNC4=CC=CC=C43)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H22N2OS.C2H2O4/c25-21(16-7-2-1-3-8-16)15-23-13-19(22-11-6-12-26-22)18-14-24-20-10-5-4-9-17(18)20;3-1(4)2(5)6/h1-12,14,19,21,23-25H,13,15H2;(H,3,4)(H,5,6)