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

Systemtic Name: ethyl 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-2,2-dimethyl-butanoate Openeye Name: ethyl 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-2,2-dimethyl-butanoate CAS Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-3-indolyl]-2,2-dimethylbutanoic acid ethyl ester IUPAC Name: ethyl 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2,2-dimethylbutanoate Traditional Name: 4-[1-(4-bromobenzyl)-5-methoxy-2-methyl-indol-3-yl]-2,2-dimethyl-butyric acid ethyl ester Formula: C25H30BrNO3 MolecularWeight: 472.4146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCC1=C(N(C2=C1C=C(C=C2)OC)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)C(C)(C)CCC1=C(N(C2=C1C=C(C=C2)OC)CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C25H30BrNO3/c1-6-30-24(28)25(3,4)14-13-21-17(2)27(16-18-7-9-19(26)10-8-18)23-12-11-20(29-5)15-22(21)23/h7-12,15H,6,13-14,16H2,1-5H3