(4-pyrrolidin-1-ylcarbonylphenyl)methyl (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl (E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-propenoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)acrylic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C22H22BrNO4 MolecularWeight: 444.31838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C22H22BrNO4/c1-27-20-10-9-19(23)14-18(20)8-11-21(25)28-15-16-4-6-17(7-5-16)22(26)24-12-2-3-13-24/h4-11,14H,2-3,12-13,15H2,1H3/b11-8+