1,2-dimethyl-5-[2-oxidanyl-3-[(phenylmethyl)amino]propoxy]indole-3-carboxylic acid

Systemtic Name: 1,2-dimethyl-5-[2-oxidanyl-3-[(phenylmethyl)amino]propoxy]indole-3-carboxylic acid Openeye Name: 5-[3-(benzylamino)-2-hydroxy-propoxy]-1,2-dimethyl-indole-3-carboxylic acid CAS Name: 5-[2-hydroxy-3-[(phenylmethyl)amino]propoxy]-1,2-dimethyl-3-indolecarboxylic acid IUPAC Name: 5-[3-(benzylamino)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylic acid Traditional Name: 5-[3-(benzylamino)-2-hydroxy-propoxy]-1,2-dimethyl-indole-3-carboxylic acid Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C)C=CC(=C2)OCC(CNCC3=CC=CC=C3)O)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C)C=CC(=C2)OCC(CNCC3=CC=CC=C3)O)C(=O)O

InChI

InChI=1S/C21H24N2O4/c1-14-20(21(25)26)18-10-17(8-9-19(18)23(14)2)27-13-16(24)12-22-11-15-6-4-3-5-7-15/h3-10,16,22,24H,11-13H2,1-2H3,(H,25,26)