ethanedioic acid; 2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-1-phenyl-ethanol

Systemtic Name: ethanedioic acid; 2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-1-phenyl-ethanol Openeye Name: 2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-1-phenyl-ethanol; oxalic acid CAS Name: 2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-1-phenylethanol; oxalic acid IUPAC Name: 2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-1-phenylethanol; oxalic acid Traditional Name: 2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-1-phenyl-ethanol; oxalic acid Formula: C27H28N2O6 MolecularWeight: 476.52102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNCC(C2=CC=CC=C2)O)C3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(CNCC(C2=CC=CC=C2)O)C3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H26N2O2.C2H2O4/c1-29-20-13-11-18(12-14-20)22(23-16-27-24-10-6-5-9-21(23)24)15-26-17-25(28)19-7-3-2-4-8-19;3-1(4)2(5)6/h2-14,16,22,25-28H,15,17H2,1H3;(H,3,4)(H,5,6)