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

Systemtic Name: (Z)-3-[1-tert-butyl-5-(pyridin-3-ylmethyl)pyrrol-3-yl]-2-methyl-prop-2-enoic acid Openeye Name: (Z)-3-[1-tert-butyl-5-(3-pyridylmethyl)pyrrol-3-yl]-2-methyl-prop-2-enoic acid CAS Name: (Z)-3-[1-tert-butyl-5-(3-pyridinylmethyl)-3-pyrrolyl]-2-methyl-2-propenoic acid IUPAC Name: (Z)-3-[1-tert-butyl-5-(pyridin-3-ylmethyl)pyrrol-3-yl]-2-methylprop-2-enoic acid Traditional Name: (Z)-3-[1-tert-butyl-5-(3-pyridylmethyl)pyrrol-3-yl]-2-methyl-acrylic acid Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CN(C(=C1)CC2=CN=CC=C2)C(C)(C)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O2/c1-13(17(21)22)8-15-10-16(20(12-15)18(2,3)4)9-14-6-5-7-19-11-14/h5-8,10-12H,9H2,1-4H3,(H,21,22)/b13-8-