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

Systemtic Name: 5-[2-(2-methoxyphenyl)-4,5,6,7-tetrahydroindol-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[2-(2-methoxyphenyl)-4,5,6,7-tetrahydroindol-1-yl]benzoic acid CAS Name: 2-hydroxy-5-[2-(2-methoxyphenyl)-4,5,6,7-tetrahydroindol-1-yl]benzoic acid IUPAC Name: 2-hydroxy-5-[2-(2-methoxyphenyl)-4,5,6,7-tetrahydroindol-1-yl]benzoic acid Traditional Name: 2-hydroxy-5-[2-(2-methoxyphenyl)-4,5,6,7-tetrahydroindol-1-yl]benzoic acid Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC3=C(N2C4=CC(=C(C=C4)O)C(=O)O)CCCC3

Isomeric SMILES

COC1=CC=CC=C1C2=CC3=C(N2C4=CC(=C(C=C4)O)C(=O)O)CCCC3

InChI

InChI=1S/C22H21NO4/c1-27-21-9-5-3-7-16(21)19-12-14-6-2-4-8-18(14)23(19)15-10-11-20(24)17(13-15)22(25)26/h3,5,7,9-13,24H,2,4,6,8H2,1H3,(H,25,26)