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

Systemtic Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-3-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[1-(4-bromobenzyl)-5-methoxy-2-methyl-indol-3-yl]-4-keto-butyric acid Formula: C21H20BrNO4 MolecularWeight: 430.2918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrNO4/c1-13-21(19(24)9-10-20(25)26)17-11-16(27-2)7-8-18(17)23(13)12-14-3-5-15(22)6-4-14/h3-8,11H,9-10,12H2,1-2H3,(H,25,26)