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

Systemtic Name: methyl 4-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-3-methyl-butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H26BrNO3 MolecularWeight: 444.36144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26BrNO3/c1-15(12-23(26)28-4)11-20-16(2)25(14-17-5-7-18(24)8-6-17)22-10-9-19(27-3)13-21(20)22/h5-10,13,15H,11-12,14H2,1-4H3