1-(2,3-dimethylindol-1-yl)-3-(1-phenylethylamino)propan-2-ol; ethanedioic acid

Systemtic Name: 1-(2,3-dimethylindol-1-yl)-3-(1-phenylethylamino)propan-2-ol; ethanedioic acid Openeye Name: 1-(2,3-dimethylindol-1-yl)-3-(1-phenylethylamino)propan-2-ol; oxalic acid CAS Name: 1-(2,3-dimethyl-1-indolyl)-3-(1-phenylethylamino)-2-propanol; oxalic acid IUPAC Name: 1-(2,3-dimethylindol-1-yl)-3-(1-phenylethylamino)propan-2-ol; oxalic acid Traditional Name: 1-(2,3-dimethylindol-1-yl)-3-(1-phenylethylamino)propan-2-ol; oxalic acid Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CC(CNC(C)C3=CC=CC=C3)O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)CC(CNC(C)C3=CC=CC=C3)O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O.C2H2O4/c1-15-17(3)23(21-12-8-7-11-20(15)21)14-19(24)13-22-16(2)18-9-5-4-6-10-18;3-1(4)2(5)6/h4-12,16,19,22,24H,13-14H2,1-3H3;(H,3,4)(H,5,6)