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

Systemtic Name: ethyl 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-3-methyl-butanoate Openeye Name: ethyl 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-3-methyl-butanoate CAS Name: 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-3-indolyl]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-3-methylbutanoate Traditional Name: 4-[1-(4-bromobenzyl)-5-methoxy-2-methyl-indol-3-yl]-3-methyl-butyric acid ethyl ester Formula: C24H28BrNO3 MolecularWeight: 458.38802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)CC1=C(N(C2=C1C=C(C=C2)OC)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)CC(C)CC1=C(N(C2=C1C=C(C=C2)OC)CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C24H28BrNO3/c1-5-29-24(27)13-16(2)12-21-17(3)26(15-18-6-8-19(25)9-7-18)23-11-10-20(28-4)14-22(21)23/h6-11,14,16H,5,12-13,15H2,1-4H3