(E)-3-[1-methyl-4-[(E)-2-methyl-3-oxidanylidene-3-phenyl-prop-1-enyl]pyrrol-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1-methyl-4-[(E)-2-methyl-3-oxidanylidene-3-phenyl-prop-1-enyl]pyrrol-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-methyl-4-[(E)-2-methyl-3-oxo-3-phenyl-prop-1-enyl]pyrrol-2-yl]prop-2-enoic acid CAS Name: (E)-3-[1-methyl-4-[(E)-2-methyl-3-oxo-3-phenylprop-1-enyl]-2-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-methyl-4-[(E)-2-methyl-3-oxo-3-phenylprop-1-enyl]pyrrol-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[4-[(E)-3-keto-2-methyl-3-phenyl-prop-1-enyl]-1-methyl-pyrrol-2-yl]acrylic acid Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CN(C(=C1)C=CC(=O)O)C)C(=O)C2=CC=CC=C2

Isomeric SMILES

C/C(=C\C1=CN(C(=C1)/C=C/C(=O)O)C)/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H17NO3/c1-13(18(22)15-6-4-3-5-7-15)10-14-11-16(19(2)12-14)8-9-17(20)21/h3-12H,1-2H3,(H,20,21)/b9-8+,13-10+