(3-azanyl-2-phenyl-propanoyl) 5-(4-cyanophenyl)pentanoate

Systemtic Name: (3-azanyl-2-phenyl-propanoyl) 5-(4-cyanophenyl)pentanoate Openeye Name: (3-amino-2-phenyl-propanoyl) 5-(4-cyanophenyl)pentanoate CAS Name: 5-(4-cyanophenyl)pentanoic acid (3-amino-1-oxo-2-phenylpropyl) ester IUPAC Name: (3-amino-2-phenylpropanoyl) 5-(4-cyanophenyl)pentanoate Traditional Name: 5-(4-cyanophenyl)valeric acid (3-amino-2-phenyl-propanoyl) ester Formula: C21H22N2O3 MolecularWeight: 350.41098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CN)C(=O)OC(=O)CCCCC2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(CN)C(=O)OC(=O)CCCCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H22N2O3/c22-14-17-12-10-16(11-13-17)6-4-5-9-20(24)26-21(25)19(15-23)18-7-2-1-3-8-18/h1-3,7-8,10-13,19H,4-6,9,15,23H2