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

Systemtic Name: (Z)-2-methyl-3-[1-propan-2-yl-5-(pyridin-3-ylmethyl)pyrrol-2-yl]prop-2-enoic acid Openeye Name: (Z)-3-[1-isopropyl-5-(3-pyridylmethyl)pyrrol-2-yl]-2-methyl-prop-2-enoic acid CAS Name: (Z)-2-methyl-3-[1-propan-2-yl-5-(3-pyridinylmethyl)-2-pyrrolyl]-2-propenoic acid IUPAC Name: (Z)-2-methyl-3-[1-propan-2-yl-5-(pyridin-3-ylmethyl)pyrrol-2-yl]prop-2-enoic acid Traditional Name: (Z)-3-[1-isopropyl-5-(3-pyridylmethyl)pyrrol-2-yl]-2-methyl-acrylic acid Formula: C17H20N2O2 MolecularWeight: 284.3529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=C1C=C(C)C(=O)O)CC2=CN=CC=C2

Isomeric SMILES

CC(C)N1C(=CC=C1/C=C(/C)\C(=O)O)CC2=CN=CC=C2

InChI

InChI=1S/C17H20N2O2/c1-12(2)19-15(9-13(3)17(20)21)6-7-16(19)10-14-5-4-8-18-11-14/h4-9,11-12H,10H2,1-3H3,(H,20,21)/b13-9-