methyl (E)-3-[4-ethanoyl-1-(phenylmethyl)pyrrol-2-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-ethanoyl-1-(phenylmethyl)pyrrol-2-yl]prop-2-enoate Openeye Name: methyl (E)-3-(4-acetyl-1-benzyl-pyrrol-2-yl)prop-2-enoate CAS Name: (E)-3-[4-acetyl-1-(phenylmethyl)-2-pyrrolyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(4-acetyl-1-benzylpyrrol-2-yl)prop-2-enoate Traditional Name: (E)-3-(4-acetyl-1-benzyl-pyrrol-2-yl)acrylic acid methyl ester Formula: C17H17NO3 MolecularWeight: 283.32178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=C1)C=CC(=O)OC)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)C1=CN(C(=C1)/C=C/C(=O)OC)CC2=CC=CC=C2

InChI

InChI=1S/C17H17NO3/c1-13(19)15-10-16(8-9-17(20)21-2)18(12-15)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3/b9-8+