4-[3-[[3-(3-cyanophenyl)-3-oxidanylidene-propanoyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

Systemtic Name: 4-[3-[[3-(3-cyanophenyl)-3-oxidanylidene-propanoyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid Openeye Name: 4-[4-(tert-butoxycarbonylamino)-3-[[3-(3-cyanophenyl)-3-oxo-propanoyl]amino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid CAS Name: 4-[3-[[3-(3-cyanophenyl)-1,3-dioxopropyl]amino]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid IUPAC Name: 4-[3-[[3-(3-cyanophenyl)-3-oxopropanoyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid Traditional Name: 4-[4-(tert-butoxycarbonylamino)-3-[[3-(3-cyanophenyl)-3-keto-propanoyl]amino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid Formula: C27H28N4O6 MolecularWeight: 504.53442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=C(C=C1)C2=CCN(CC2)C(=O)O)NC(=O)CC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=C(C=C1)C2=CCN(CC2)C(=O)O)NC(=O)CC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C27H28N4O6/c1-27(2,3)37-25(34)30-21-8-7-19(18-9-11-31(12-10-18)26(35)36)14-22(21)29-24(33)15-23(32)20-6-4-5-17(13-20)16-28/h4-9,13-14H,10-12,15H2,1-3H3,(H,29,33)(H,30,34)(H,35,36)