ethyl 6-bromanyl-4-(dimethylaminomethyl)-2-methyl-1-(3-methylphenyl)-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-4-(dimethylaminomethyl)-2-methyl-1-(3-methylphenyl)-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-2-methyl-1-(m-tolyl)indole-3-carboxylate CAS Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-2-methyl-1-(3-methylphenyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-2-methyl-1-(3-methylphenyl)indole-3-carboxylate Traditional Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-2-methyl-1-(m-tolyl)indole-3-carboxylic acid ethyl ester Formula: C22H25BrN2O3 MolecularWeight: 445.3495

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C3=CC=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C3=CC=CC(=C3)C)C

InChI

InChI=1S/C22H25BrN2O3/c1-6-28-22(27)19-14(3)25(15-9-7-8-13(2)10-15)18-11-17(23)21(26)16(20(18)19)12-24(4)5/h7-11,26H,6,12H2,1-5H3