ethyl (E)-4-oxidanylidene-4-[[2-[3-oxidanyl-3-phenyl-2-pyridin-2-yl-1-(pyridin-2-ylamino)propyl]phenyl]amino]but-2-enoate

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[[2-[3-oxidanyl-3-phenyl-2-pyridin-2-yl-1-(pyridin-2-ylamino)propyl]phenyl]amino]but-2-enoate Openeye Name: ethyl (E)-4-[2-[3-hydroxy-3-phenyl-2-(2-pyridyl)-1-(2-pyridylamino)propyl]anilino]-4-oxo-but-2-enoate CAS Name: (E)-4-[2-[3-hydroxy-3-phenyl-2-(2-pyridinyl)-1-(2-pyridinylamino)propyl]anilino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[2-[3-hydroxy-3-phenyl-2-pyridin-2-yl-1-(pyridin-2-ylamino)propyl]anilino]-4-oxobut-2-enoate Traditional Name: (E)-4-[2-[3-hydroxy-3-phenyl-2-(2-pyridyl)-1-(2-pyridylamino)propyl]anilino]-4-keto-but-2-enoic acid ethyl ester Formula: C31H30N4O4 MolecularWeight: 522.5943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC1=CC=CC=C1C(C(C2=CC=CC=N2)C(C3=CC=CC=C3)O)NC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC1=CC=CC=C1C(C(C2=CC=CC=N2)C(C3=CC=CC=C3)O)NC4=CC=CC=N4

InChI

InChI=1S/C31H30N4O4/c1-2-39-28(37)19-18-27(36)34-24-15-7-6-14-23(24)30(35-26-17-9-11-21-33-26)29(25-16-8-10-20-32-25)31(38)22-12-4-3-5-13-22/h3-21,29-31,38H,2H2,1H3,(H,33,35)(H,34,36)/b19-18+