ethyl (Z)-3-[1-(2,2-dimethylpropyl)-5-(pyridin-3-ylmethyl)pyrrol-2-yl]-2-methyl-prop-2-enoate

Systemtic Name: ethyl (Z)-3-[1-(2,2-dimethylpropyl)-5-(pyridin-3-ylmethyl)pyrrol-2-yl]-2-methyl-prop-2-enoate Openeye Name: ethyl (Z)-3-[1-(2,2-dimethylpropyl)-5-(3-pyridylmethyl)pyrrol-2-yl]-2-methyl-prop-2-enoate CAS Name: (Z)-3-[1-(2,2-dimethylpropyl)-5-(3-pyridinylmethyl)-2-pyrrolyl]-2-methyl-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-[1-(2,2-dimethylpropyl)-5-(pyridin-3-ylmethyl)pyrrol-2-yl]-2-methylprop-2-enoate Traditional Name: (Z)-2-methyl-3-[1-neopentyl-5-(3-pyridylmethyl)pyrrol-2-yl]acrylic acid ethyl ester Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(N1CC(C)(C)C)CC2=CN=CC=C2)C

Isomeric SMILES

CCOC(=O)/C(=C\C1=CC=C(N1CC(C)(C)C)CC2=CN=CC=C2)/C

InChI

InChI=1S/C21H28N2O2/c1-6-25-20(24)16(2)12-18-9-10-19(23(18)15-21(3,4)5)13-17-8-7-11-22-14-17/h7-12,14H,6,13,15H2,1-5H3/b16-12-