[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate

Systemtic Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate Openeye Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate CAS Name: (E)-3-(4-bromophenyl)-2-propenoic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] (E)-3-(4-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(4-bromophenyl)acrylic acid [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H22BrNO3 MolecularWeight: 404.29758

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)COC(=O)C=CC2=CC=C(C=C2)Br)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C20H22BrNO3/c1-4-11-22-14(2)12-18(15(22)3)19(23)13-25-20(24)10-7-16-5-8-17(21)9-6-16/h5-10,12H,4,11,13H2,1-3H3/b10-7+