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

Systemtic Name: methyl 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-2,2-dimethyl-propanoate Openeye Name: methyl 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-2,2-dimethyl-propanoate CAS Name: 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-3-indolyl]-2,2-dimethylpropanoic acid methyl ester IUPAC Name: methyl 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2,2-dimethylpropanoate Traditional Name: 3-[1-(4-bromobenzyl)-5-methoxy-2-methyl-indol-3-yl]-2,2-dimethyl-propionic 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)(C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H26BrNO3/c1-15-20(13-23(2,3)22(26)28-5)19-12-18(27-4)10-11-21(19)25(15)14-16-6-8-17(24)9-7-16/h6-12H,13-14H2,1-5H3