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

Systemtic Name: methyl 1-(3-bromanyl-5-methyl-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl 1-(3-bromo-5-methyl-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 1-(3-bromo-5-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(3-bromo-5-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 1-(3-bromo-5-methyl-phenyl)-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid methyl ester Formula: C20H19BrN2O2 MolecularWeight: 399.28106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2C3=C(CC(N2)C(=O)OC)C4=CC=CC=C4N3)Br

Isomeric SMILES

CC1=CC(=CC(=C1)C2C3=C(CC(N2)C(=O)OC)C4=CC=CC=C4N3)Br

InChI

InChI=1S/C20H19BrN2O2/c1-11-7-12(9-13(21)8-11)18-19-15(10-17(23-18)20(24)25-2)14-5-3-4-6-16(14)22-19/h3-9,17-18,22-23H,10H2,1-2H3