propan-2-yl 2-[(3-cyanophenyl)methyl]-3-[(4-pyridin-4-ylphenyl)carbonylamino]butanoate

Systemtic Name: propan-2-yl 2-[(3-cyanophenyl)methyl]-3-[(4-pyridin-4-ylphenyl)carbonylamino]butanoate Openeye Name: isopropyl 2-[(3-cyanophenyl)methyl]-3-[[4-(4-pyridyl)benzoyl]amino]butanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-[[oxo-(4-pyridin-4-ylphenyl)methyl]amino]butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(3-cyanophenyl)methyl]-3-[(4-pyridin-4-ylbenzoyl)amino]butanoate Traditional Name: 2-(3-cyanobenzyl)-3-[[4-(4-pyridyl)benzoyl]amino]butyric acid isopropyl ester Formula: C27H27N3O3 MolecularWeight: 441.52158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CC1=CC=CC(=C1)C#N)C(C)NC(=O)C2=CC=C(C=C2)C3=CC=NC=C3

Isomeric SMILES

CC(C)OC(=O)C(CC1=CC=CC(=C1)C#N)C(C)NC(=O)C2=CC=C(C=C2)C3=CC=NC=C3

InChI

InChI=1S/C27H27N3O3/c1-18(2)33-27(32)25(16-20-5-4-6-21(15-20)17-28)19(3)30-26(31)24-9-7-22(8-10-24)23-11-13-29-14-12-23/h4-15,18-19,25H,16H2,1-3H3,(H,30,31)