8-bromanyl-1-(3-methoxy-5-methyl-phenyl)-5-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 8-bromanyl-1-(3-methoxy-5-methyl-phenyl)-5-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 8-bromo-1-(3-methoxy-5-methyl-phenyl)-5-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 8-bromo-1-(3-methoxy-5-methylphenyl)-5-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 8-bromo-1-(3-methoxy-5-methylphenyl)-5-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 8-bromo-1-(3-methoxy-5-methyl-phenyl)-5-methyl-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C3=C(C(NC(C3)C(=O)O)C4=CC(=CC(=C4)OC)C)NC2=C(C=C1)Br

Isomeric SMILES

CC1=C2C3=C(C(NC(C3)C(=O)O)C4=CC(=CC(=C4)OC)C)NC2=C(C=C1)Br

InChI

InChI=1S/C21H21BrN2O3/c1-10-6-12(8-13(7-10)27-3)18-19-14(9-16(23-18)21(25)26)17-11(2)4-5-15(22)20(17)24-19/h4-8,16,18,23-24H,9H2,1-3H3,(H,25,26)