methyl 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-4-oxo-butanoate CAS Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-3-indolyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-4-oxobutanoate Traditional Name: 4-[1-(4-bromobenzyl)-5-methoxy-2-methyl-indol-3-yl]-4-keto-butyric acid methyl ester Formula: C22H22BrNO4 MolecularWeight: 444.31838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)OC)C(=O)CCC(=O)OC

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)OC)C(=O)CCC(=O)OC

InChI

InChI=1S/C22H22BrNO4/c1-14-22(20(25)10-11-21(26)28-3)18-12-17(27-2)8-9-19(18)24(14)13-15-4-6-16(23)7-5-15/h4-9,12H,10-11,13H2,1-3H3