methyl 3-[(3-cyanophenyl)carbonylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[(3-cyanophenyl)carbonylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[(3-cyanobenzoyl)amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[(3-cyanophenyl)-oxomethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(3-cyanobenzoyl)amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[(3-cyanobenzoyl)amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C20H19N3O3 MolecularWeight: 349.38316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H19N3O3/c1-26-20(25)16-7-8-18(23-9-2-3-10-23)17(12-16)22-19(24)15-6-4-5-14(11-15)13-21/h4-8,11-12H,2-3,9-10H2,1H3,(H,22,24)