5-[2-(3-methoxyphenyl)-4,5,6,7-tetrahydroindol-1-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-(3-methoxyphenyl)-4,5,6,7-tetrahydroindol-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[2-(3-methoxyphenyl)-4,5,6,7-tetrahydroindol-1-yl]benzoic acid CAS Name: 2-hydroxy-5-[2-(3-methoxyphenyl)-4,5,6,7-tetrahydroindol-1-yl]benzoic acid IUPAC Name: 2-hydroxy-5-[2-(3-methoxyphenyl)-4,5,6,7-tetrahydroindol-1-yl]benzoic acid Traditional Name: 2-hydroxy-5-[2-(3-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(=C1)C2=CC3=C(N2C4=CC(=C(C=C4)O)C(=O)O)CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC3=C(N2C4=CC(=C(C=C4)O)C(=O)O)CCCC3

InChI

InChI=1S/C22H21NO4/c1-27-17-7-4-6-14(11-17)20-12-15-5-2-3-8-19(15)23(20)16-9-10-21(24)18(13-16)22(25)26/h4,6-7,9-13,24H,2-3,5,8H2,1H3,(H,25,26)