(4-chloranyl-2-propan-2-yl-phenyl) 3-cyano-3-(1-prop-2-ynylpyrrol-3-yl)propanoate

Systemtic Name: (4-chloranyl-2-propan-2-yl-phenyl) 3-cyano-3-(1-prop-2-ynylpyrrol-3-yl)propanoate Openeye Name: (4-chloro-2-isopropyl-phenyl) 3-cyano-3-(1-prop-2-ynylpyrrol-3-yl)propanoate CAS Name: 3-cyano-3-(1-prop-2-ynyl-3-pyrrolyl)propanoic acid (4-chloro-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-2-propan-2-ylphenyl) 3-cyano-3-(1-prop-2-ynylpyrrol-3-yl)propanoate Traditional Name: 3-cyano-3-(1-propargylpyrrol-3-yl)propionic acid (4-chloro-2-isopropyl-phenyl) ester Formula: C20H19ClN2O2 MolecularWeight: 354.83006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)Cl)OC(=O)CC(C#N)C2=CN(C=C2)CC#C

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)Cl)OC(=O)CC(C#N)C2=CN(C=C2)CC#C

InChI

InChI=1S/C20H19ClN2O2/c1-4-8-23-9-7-15(13-23)16(12-22)10-20(24)25-19-6-5-17(21)11-18(19)14(2)3/h1,5-7,9,11,13-14,16H,8,10H2,2-3H3