ethyl 6-bromanyl-9-(methoxymethyl)-1-(2-phenylethanoyl)pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-9-(methoxymethyl)-1-(2-phenylethanoyl)pyrido[3,4-b]indole-3-carboxylate Openeye Name: ethyl 6-bromo-9-(methoxymethyl)-1-(2-phenylacetyl)pyrido[3,4-b]indole-3-carboxylate CAS Name: 6-bromo-9-(methoxymethyl)-1-(1-oxo-2-phenylethyl)-3-pyrido[3,4-b]indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-9-(methoxymethyl)-1-(2-phenylacetyl)pyrido[3,4-b]indole-3-carboxylate Traditional Name: 6-bromo-9-(methoxymethyl)-1-(2-phenylacetyl)-$b-carboline-3-carboxylic acid ethyl ester Formula: C24H21BrN2O4 MolecularWeight: 481.33854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=C2C(=C1)C3=C(N2COC)C=CC(=C3)Br)C(=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NC(=C2C(=C1)C3=C(N2COC)C=CC(=C3)Br)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H21BrN2O4/c1-3-31-24(29)19-13-18-17-12-16(25)9-10-20(17)27(14-30-2)23(18)22(26-19)21(28)11-15-7-5-4-6-8-15/h4-10,12-13H,3,11,14H2,1-2H3