[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate

Systemtic Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate Openeye Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate CAS Name: (Z)-2-acetamido-3-phenyl-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] (Z)-2-acetamido-3-phenylprop-2-enoate Traditional Name: (Z)-2-acetamido-3-phenyl-acrylic acid [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4/c1-5-11-24-15(2)12-19(16(24)3)21(26)14-28-22(27)20(23-17(4)25)13-18-9-7-6-8-10-18/h6-10,12-13H,5,11,14H2,1-4H3,(H,23,25)/b20-13-