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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Br)C(=O)N2CCC3=C(C2)C4=CC=CC=C4N3CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)Br)C(=O)N2CCC3=C(C2)C4=CC=CC=C4N3CC(=O)O

InChI

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