ethanedioic acid; 1-[2-(4-methoxyphenyl)indol-1-yl]-3-(phenethylamino)propan-2-ol

Systemtic Name: ethanedioic acid; 1-[2-(4-methoxyphenyl)indol-1-yl]-3-(phenethylamino)propan-2-ol Openeye Name: 1-[2-(4-methoxyphenyl)indol-1-yl]-3-(phenethylamino)propan-2-ol; oxalic acid CAS Name: 1-[2-(4-methoxyphenyl)-1-indolyl]-3-(phenethylamino)-2-propanol; oxalic acid IUPAC Name: 1-[2-(4-methoxyphenyl)indol-1-yl]-3-(phenethylamino)propan-2-ol; oxalic acid Traditional Name: 1-[2-(4-methoxyphenyl)indol-1-yl]-3-(phenethylamino)propan-2-ol; oxalic acid Formula: C28H30N2O6 MolecularWeight: 490.5476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=CC=CC=C3N2CC(CNCCC4=CC=CC=C4)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=CC=CC=C3N2CC(CNCCC4=CC=CC=C4)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H28N2O2.C2H2O4/c1-30-24-13-11-21(12-14-24)26-17-22-9-5-6-10-25(22)28(26)19-23(29)18-27-16-15-20-7-3-2-4-8-20;3-1(4)2(5)6/h2-14,17,23,27,29H,15-16,18-19H2,1H3;(H,3,4)(H,5,6)