ethyl 5-acetyloxy-6-bromanyl-2-(diethylaminomethyl)-1-(4-methylphenyl)indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-(diethylaminomethyl)-1-(4-methylphenyl)indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-(diethylaminomethyl)-1-(p-tolyl)indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-(diethylaminomethyl)-1-(4-methylphenyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-(diethylaminomethyl)-1-(4-methylphenyl)indole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-2-(diethylaminomethyl)-1-(p-tolyl)indole-3-carboxylic acid ethyl ester Formula: C25H29BrN2O4 MolecularWeight: 501.41276

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C2=CC(=C(C=C2N1C3=CC=C(C=C3)C)Br)OC(=O)C)C(=O)OCC

Isomeric SMILES

CCN(CC)CC1=C(C2=CC(=C(C=C2N1C3=CC=C(C=C3)C)Br)OC(=O)C)C(=O)OCC

InChI

InChI=1S/C25H29BrN2O4/c1-6-27(7-2)15-22-24(25(30)31-8-3)19-13-23(32-17(5)29)20(26)14-21(19)28(22)18-11-9-16(4)10-12-18/h9-14H,6-8,15H2,1-5H3