methyl 3-bromanyl-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrole-2-carboxylate

Systemtic Name: methyl 3-bromanyl-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrole-2-carboxylate Openeye Name: methyl 3-bromo-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrole-2-carboxylate CAS Name: 3-bromo-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 3-bromo-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrole-2-carboxylate Traditional Name: 3-bromo-1-homoveratryl-pyrrole-2-carboxylic acid methyl ester Formula: C16H18BrNO4 MolecularWeight: 368.22242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C=CC(=C2C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C=CC(=C2C(=O)OC)Br)OC

InChI

InChI=1S/C16H18BrNO4/c1-20-13-5-4-11(10-14(13)21-2)6-8-18-9-7-12(17)15(18)16(19)22-3/h4-5,7,9-10H,6,8H2,1-3H3