5-[2-(4-hydroxyphenyl)-4,5,6,7-tetrahydroindol-1-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-(4-hydroxyphenyl)-4,5,6,7-tetrahydroindol-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[2-(4-hydroxyphenyl)-4,5,6,7-tetrahydroindol-1-yl]benzoic acid CAS Name: 2-hydroxy-5-[2-(4-hydroxyphenyl)-4,5,6,7-tetrahydroindol-1-yl]benzoic acid IUPAC Name: 2-hydroxy-5-[2-(4-hydroxyphenyl)-4,5,6,7-tetrahydroindol-1-yl]benzoic acid Traditional Name: 2-hydroxy-5-[2-(4-hydroxyphenyl)-4,5,6,7-tetrahydroindol-1-yl]benzoic acid Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(N2C3=CC(=C(C=C3)O)C(=O)O)C4=CC=C(C=C4)O

Isomeric SMILES

C1CCC2=C(C1)C=C(N2C3=CC(=C(C=C3)O)C(=O)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C21H19NO4/c23-16-8-5-13(6-9-16)19-11-14-3-1-2-4-18(14)22(19)15-7-10-20(24)17(12-15)21(25)26/h5-12,23-24H,1-4H2,(H,25,26)