tert-butyl (E)-2-[4-methylpentanoyl-(pyridin-2-ylamino)amino]-5-phenyl-pent-4-enoate

Systemtic Name: tert-butyl (E)-2-[4-methylpentanoyl-(pyridin-2-ylamino)amino]-5-phenyl-pent-4-enoate Openeye Name: tert-butyl (E)-2-[4-methylpentanoyl-(2-pyridylamino)amino]-5-phenyl-pent-4-enoate CAS Name: (E)-2-[(4-methyl-1-oxopentyl)-(2-pyridinylamino)amino]-5-phenyl-4-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-2-[4-methylpentanoyl-(pyridin-2-ylamino)amino]-5-phenylpent-4-enoate Traditional Name: (E)-2-[4-methylpentanoyl-(2-pyridylamino)amino]-5-phenyl-pent-4-enoic acid tert-butyl ester Formula: C26H35N3O3 MolecularWeight: 437.5744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N(C(CC=CC1=CC=CC=C1)C(=O)OC(C)(C)C)NC2=CC=CC=N2

Isomeric SMILES

CC(C)CCC(=O)N(C(C/C=C/C1=CC=CC=C1)C(=O)OC(C)(C)C)NC2=CC=CC=N2

InChI

InChI=1S/C26H35N3O3/c1-20(2)17-18-24(30)29(28-23-16-9-10-19-27-23)22(25(31)32-26(3,4)5)15-11-14-21-12-7-6-8-13-21/h6-14,16,19-20,22H,15,17-18H2,1-5H3,(H,27,28)/b14-11+