2-[2-(2-bromanyl-3-methyl-phenyl)carbonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]ethanoic acid

Systemtic Name: 2-[2-(2-bromanyl-3-methyl-phenyl)carbonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]ethanoic acid Openeye Name: 2-[2-(2-bromo-3-methyl-benzoyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetic acid CAS Name: 2-[2-[(2-bromo-3-methylphenyl)-oxomethyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetic acid IUPAC Name: 2-[2-(2-bromo-3-methylbenzoyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetic acid Traditional Name: 2-[2-(2-bromo-3-methyl-benzoyl)-3,4-dihydro-1H-pyrid[4,3-b]indol-5-yl]acetic acid Formula: C21H19BrN2O3 MolecularWeight: 427.29116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1Br)C(=O)N2CCC3=C(C2)C4=CC=CC=C4N3CC(=O)O

Isomeric SMILES

CC1=CC=CC(=C1Br)C(=O)N2CCC3=C(C2)C4=CC=CC=C4N3CC(=O)O

InChI

InChI=1S/C21H19BrN2O3/c1-13-5-4-7-15(20(13)22)21(27)23-10-9-18-16(11-23)14-6-2-3-8-17(14)24(18)12-19(25)26/h2-8H,9-12H2,1H3,(H,25,26)