3-bromanyl-2-oxidanyl-5-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzoic acid

Systemtic Name: 3-bromanyl-2-oxidanyl-5-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzoic acid Openeye Name: 3-bromo-2-hydroxy-5-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzoic acid CAS Name: 3-bromo-2-hydroxy-5-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzoic acid IUPAC Name: 3-bromo-2-hydroxy-5-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzoic acid Traditional Name: 3-bromo-2-hydroxy-5-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzoic acid Formula: C21H18BrNO3 MolecularWeight: 412.27652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrNO3/c22-17-12-15(11-16(20(17)24)21(25)26)23-18-9-5-4-8-14(18)10-19(23)13-6-2-1-3-7-13/h1-3,6-7,10-12,24H,4-5,8-9H2,(H,25,26)