[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(3-methoxyphenyl)prop-2-enoate

Systemtic Name: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(3-methoxyphenyl)prop-2-enoate Openeye Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3-methoxyphenyl)-2-propenoic acid [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (E)-3-(3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-methoxyphenyl)acrylic acid [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)OC(=O)C=CC2=CC(=CC=C2)OC

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)OC(=O)/C=C/C2=CC(=CC=C2)OC

InChI

InChI=1S/C21H23NO5/c1-12-19(14(3)23)13(2)22-20(12)21(25)15(4)27-18(24)10-9-16-7-6-8-17(11-16)26-5/h6-11,15,22H,1-5H3/b10-9+/t15-/m0/s1