(4-pyrrolidin-1-ylcarbonylphenyl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C22H21N3O4/c23-12-11-20(26)24-19-9-7-18(8-10-19)22(28)29-15-16-3-5-17(6-4-16)21(27)25-13-1-2-14-25/h3-10H,1-2,11,13-15H2,(H,24,26)