tert-butyl (3S)-2-[(2-bromophenyl)methyl]-3-methyl-4-oxidanylidene-1,3-dihydropyrido[3,4-b]indole-9-carboxylate

Systemtic Name: tert-butyl (3S)-2-[(2-bromophenyl)methyl]-3-methyl-4-oxidanylidene-1,3-dihydropyrido[3,4-b]indole-9-carboxylate Openeye Name: tert-butyl (3S)-2-[(2-bromophenyl)methyl]-3-methyl-4-oxo-1,3-dihydropyrido[3,4-b]indole-9-carboxylate CAS Name: (3S)-2-[(2-bromophenyl)methyl]-3-methyl-4-oxo-1,3-dihydropyrido[3,4-b]indole-9-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-2-[(2-bromophenyl)methyl]-3-methyl-4-oxo-1,3-dihydropyrido[3,4-b]indole-9-carboxylate Traditional Name: (3S)-2-(2-bromobenzyl)-4-keto-3-methyl-1,3-dihydro-$b-carboline-9-carboxylic acid tert-butyl ester Formula: C24H25BrN2O3 MolecularWeight: 469.3709

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C2=C(CN1CC3=CC=CC=C3Br)N(C4=CC=CC=C42)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H]1C(=O)C2=C(CN1CC3=CC=CC=C3Br)N(C4=CC=CC=C42)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H25BrN2O3/c1-15-22(28)21-17-10-6-8-12-19(17)27(23(29)30-24(2,3)4)20(21)14-26(15)13-16-9-5-7-11-18(16)25/h5-12,15H,13-14H2,1-4H3/t15-/m0/s1