3-[2-[[1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]amino]ethyl]-1H-indole-7-carboxylic acid

Systemtic Name: 3-[2-[[1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]amino]ethyl]-1H-indole-7-carboxylic acid Openeye Name: 3-[2-[[2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethyl]-1H-indole-7-carboxylic acid CAS Name: 3-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indole-7-carboxylic acid IUPAC Name: 3-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-1H-indole-7-carboxylic acid Traditional Name: 3-[2-[[2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethyl]-1H-indole-7-carboxylic acid Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)O)O)NCCC2=CNC3=C2C=CC=C3C(=O)O

Isomeric SMILES

CC(C(C1=CC=C(C=C1)O)O)NCCC2=CNC3=C2C=CC=C3C(=O)O

InChI

InChI=1S/C20H22N2O4/c1-12(19(24)13-5-7-15(23)8-6-13)21-10-9-14-11-22-18-16(14)3-2-4-17(18)20(25)26/h2-8,11-12,19,21-24H,9-10H2,1H3,(H,25,26)