2-ethoxyethyl (Z)-2-cyano-4-methyl-3-[(6-propoxypyridin-3-yl)methylamino]pent-2-enoate

Systemtic Name: 2-ethoxyethyl (Z)-2-cyano-4-methyl-3-[(6-propoxypyridin-3-yl)methylamino]pent-2-enoate Openeye Name: 2-ethoxyethyl (Z)-2-cyano-4-methyl-3-[(6-propoxy-3-pyridyl)methylamino]pent-2-enoate CAS Name: (Z)-2-cyano-4-methyl-3-[(6-propoxy-3-pyridinyl)methylamino]-2-pentenoic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (Z)-2-cyano-4-methyl-3-[(6-propoxypyridin-3-yl)methylamino]pent-2-enoate Traditional Name: (Z)-2-cyano-4-methyl-3-[(6-propoxy-3-pyridyl)methylamino]pent-2-enoic acid 2-ethoxyethyl ester Formula: C20H29N3O4 MolecularWeight: 375.46196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC=C(C=C1)CNC(=C(C#N)C(=O)OCCOCC)C(C)C

Isomeric SMILES

CCCOC1=NC=C(C=C1)CN/C(=C(/C#N)\C(=O)OCCOCC)/C(C)C

InChI

InChI=1S/C20H29N3O4/c1-5-9-26-18-8-7-16(13-22-18)14-23-19(15(3)4)17(12-21)20(24)27-11-10-25-6-2/h7-8,13,15,23H,5-6,9-11,14H2,1-4H3/b19-17-