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

Systemtic Name: ethyl 6-bromanyl-4-(dimethylaminomethyl)-2-methyl-5-oxidanyl-1-(phenylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-6-bromo-4-(dimethylaminomethyl)-5-hydroxy-2-methyl-indole-3-carboxylate CAS Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-6-bromo-4-(dimethylaminomethyl)-5-hydroxy-2-methylindole-3-carboxylate Traditional Name: 1-benzyl-6-bromo-4-(dimethylaminomethyl)-5-hydroxy-2-methyl-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)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H25BrN2O3/c1-5-28-22(27)19-14(2)25(12-15-9-7-6-8-10-15)18-11-17(23)21(26)16(20(18)19)13-24(3)4/h6-11,26H,5,12-13H2,1-4H3