(Z)-2-[5-ethanoyl-1-(phenylmethyl)pyrrol-3-yl]-3-methoxy-prop-2-enoic acid

Systemtic Name: (Z)-2-[5-ethanoyl-1-(phenylmethyl)pyrrol-3-yl]-3-methoxy-prop-2-enoic acid Openeye Name: (Z)-2-(5-acetyl-1-benzyl-pyrrol-3-yl)-3-methoxy-prop-2-enoic acid CAS Name: (Z)-2-[5-acetyl-1-(phenylmethyl)-3-pyrrolyl]-3-methoxy-2-propenoic acid IUPAC Name: (Z)-2-(5-acetyl-1-benzylpyrrol-3-yl)-3-methoxyprop-2-enoic acid Traditional Name: (Z)-2-(5-acetyl-1-benzyl-pyrrol-3-yl)-3-methoxy-acrylic acid Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CN1CC2=CC=CC=C2)C(=COC)C(=O)O

Isomeric SMILES

CC(=O)C1=CC(=CN1CC2=CC=CC=C2)/C(=C/OC)/C(=O)O

InChI

InChI=1S/C17H17NO4/c1-12(19)16-8-14(15(11-22-2)17(20)21)10-18(16)9-13-6-4-3-5-7-13/h3-8,10-11H,9H2,1-2H3,(H,20,21)/b15-11-