(Z)-3-[1-ethyl-5-(pyridin-3-ylmethyl)pyrrol-2-yl]-2-methyl-prop-2-enoic acid

Systemtic Name: (Z)-3-[1-ethyl-5-(pyridin-3-ylmethyl)pyrrol-2-yl]-2-methyl-prop-2-enoic acid Openeye Name: (Z)-3-[1-ethyl-5-(3-pyridylmethyl)pyrrol-2-yl]-2-methyl-prop-2-enoic acid CAS Name: (Z)-3-[1-ethyl-5-(3-pyridinylmethyl)-2-pyrrolyl]-2-methyl-2-propenoic acid IUPAC Name: (Z)-3-[1-ethyl-5-(pyridin-3-ylmethyl)pyrrol-2-yl]-2-methylprop-2-enoic acid Traditional Name: (Z)-3-[1-ethyl-5-(3-pyridylmethyl)pyrrol-2-yl]-2-methyl-acrylic acid Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=C1C=C(C)C(=O)O)CC2=CN=CC=C2

Isomeric SMILES

CCN1C(=CC=C1/C=C(/C)\C(=O)O)CC2=CN=CC=C2

InChI

InChI=1S/C16H18N2O2/c1-3-18-14(9-12(2)16(19)20)6-7-15(18)10-13-5-4-8-17-11-13/h4-9,11H,3,10H2,1-2H3,(H,19,20)/b12-9-