(E)-2-[2-(3,5-dimethylphenyl)carbonylpyrrol-1-yl]-3-methoxy-prop-2-enoic acid

Systemtic Name: (E)-2-[2-(3,5-dimethylphenyl)carbonylpyrrol-1-yl]-3-methoxy-prop-2-enoic acid Openeye Name: (E)-2-[2-(3,5-dimethylbenzoyl)pyrrol-1-yl]-3-methoxy-prop-2-enoic acid CAS Name: (E)-2-[2-[(3,5-dimethylphenyl)-oxomethyl]-1-pyrrolyl]-3-methoxy-2-propenoic acid IUPAC Name: (E)-2-[2-(3,5-dimethylbenzoyl)pyrrol-1-yl]-3-methoxyprop-2-enoic acid Traditional Name: (E)-2-[2-(3,5-dimethylbenzoyl)pyrrol-1-yl]-3-methoxy-acrylic acid Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)C2=CC=CN2C(=COC)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)C2=CC=CN2/C(=C/OC)/C(=O)O)C

InChI

InChI=1S/C17H17NO4/c1-11-7-12(2)9-13(8-11)16(19)14-5-4-6-18(14)15(10-22-3)17(20)21/h4-10H,1-3H3,(H,20,21)/b15-10+