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

Systemtic Name: 4-[2-[1-(4-hydroxyphenyl)propan-2-ylamino]-1-oxidanyl-ethyl]-7-oxidanyl-1H-indole-2-carboxylic acid Openeye Name: 7-hydroxy-4-[1-hydroxy-2-[[2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethyl]-1H-indole-2-carboxylic acid CAS Name: 7-hydroxy-4-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]-1H-indole-2-carboxylic acid IUPAC Name: 7-hydroxy-4-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]-1H-indole-2-carboxylic acid Traditional Name: 7-hydroxy-4-[1-hydroxy-2-[[2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethyl]-1H-indole-2-carboxylic acid Formula: C20H22N2O5 MolecularWeight: 370.39908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)O)NCC(C2=C3C=C(NC3=C(C=C2)O)C(=O)O)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)O)NCC(C2=C3C=C(NC3=C(C=C2)O)C(=O)O)O

InChI

InChI=1S/C20H22N2O5/c1-11(8-12-2-4-13(23)5-3-12)21-10-18(25)14-6-7-17(24)19-15(14)9-16(22-19)20(26)27/h2-7,9,11,18,21-25H,8,10H2,1H3,(H,26,27)