ethyl 6-bromanyl-1-(4-propan-2-ylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-(4-propan-2-ylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate Openeye Name: ethyl 6-bromo-1-(4-isopropylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate CAS Name: 6-bromo-1-(4-propan-2-ylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-(4-propan-2-ylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate Traditional Name: 6-bromo-1-p-cumenyl-1,3,4,9-tetrahydro-$b-carboline-2-carboxylic acid ethyl ester Formula: C23H25BrN2O2 MolecularWeight: 441.3608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1C3=CC=C(C=C3)C(C)C)NC4=C2C=C(C=C4)Br

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1C3=CC=C(C=C3)C(C)C)NC4=C2C=C(C=C4)Br

InChI

InChI=1S/C23H25BrN2O2/c1-4-28-23(27)26-12-11-18-19-13-17(24)9-10-20(19)25-21(18)22(26)16-7-5-15(6-8-16)14(2)3/h5-10,13-14,22,25H,4,11-12H2,1-3H3