1-[(4-bromophenyl)amino]-3-(2,3-dimethylindol-1-yl)propan-2-ol; ethanedioic acid

Systemtic Name: 1-[(4-bromophenyl)amino]-3-(2,3-dimethylindol-1-yl)propan-2-ol; ethanedioic acid Openeye Name: 1-(4-bromoanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol; oxalic acid CAS Name: 1-(4-bromoanilino)-3-(2,3-dimethyl-1-indolyl)-2-propanol; oxalic acid IUPAC Name: 1-(4-bromoanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol; oxalic acid Traditional Name: 1-(4-bromoanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol; oxalic acid Formula: C21H23BrN2O5 MolecularWeight: 463.32172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CC(CNC3=CC=C(C=C3)Br)O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)CC(CNC3=CC=C(C=C3)Br)O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H21BrN2O.C2H2O4/c1-13-14(2)22(19-6-4-3-5-18(13)19)12-17(23)11-21-16-9-7-15(20)8-10-16;3-1(4)2(5)6/h3-10,17,21,23H,11-12H2,1-2H3;(H,3,4)(H,5,6)