methyl 1-[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]pyrrolidine-2-carboxylate CAS Name: 1-[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[(E)-3-(2-bromo-4-methyl-phenyl)acryloyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C16H18BrNO3 MolecularWeight: 352.22302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)N2CCCC2C(=O)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)N2CCCC2C(=O)OC)Br

InChI

InChI=1S/C16H18BrNO3/c1-11-5-6-12(13(17)10-11)7-8-15(19)18-9-3-4-14(18)16(20)21-2/h5-8,10,14H,3-4,9H2,1-2H3/b8-7+