ethyl 3-cyano-2-phenyl-3-pyrrolidin-1-ylcarbonyl-cyclopropene-1-carboxylate

Systemtic Name: ethyl 3-cyano-2-phenyl-3-pyrrolidin-1-ylcarbonyl-cyclopropene-1-carboxylate Openeye Name: ethyl 3-cyano-2-phenyl-3-(pyrrolidine-1-carbonyl)cyclopropene-1-carboxylate CAS Name: 3-cyano-3-[oxo(1-pyrrolidinyl)methyl]-2-phenyl-1-cyclopropenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-2-phenyl-3-(pyrrolidine-1-carbonyl)cyclopropene-1-carboxylate Traditional Name: 3-cyano-2-phenyl-3-(pyrrolidine-1-carbonyl)cyclopropene-1-carboxylic acid ethyl ester Formula: C18H18N2O3 MolecularWeight: 310.34712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C1(C#N)C(=O)N2CCCC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C1(C#N)C(=O)N2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O3/c1-2-23-16(21)15-14(13-8-4-3-5-9-13)18(15,12-19)17(22)20-10-6-7-11-20/h3-5,8-9H,2,6-7,10-11H2,1H3