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

Systemtic Name: 2-ethoxyethyl (Z)-3-[(6-butoxypyridin-3-yl)methylamino]-2-cyano-4-methyl-pent-2-enoate Openeye Name: 2-ethoxyethyl (Z)-3-[(6-butoxy-3-pyridyl)methylamino]-2-cyano-4-methyl-pent-2-enoate CAS Name: (Z)-3-[(6-butoxy-3-pyridinyl)methylamino]-2-cyano-4-methyl-2-pentenoic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (Z)-3-[(6-butoxypyridin-3-yl)methylamino]-2-cyano-4-methylpent-2-enoate Traditional Name: (Z)-3-[(6-butoxy-3-pyridyl)methylamino]-2-cyano-4-methyl-pent-2-enoic acid 2-ethoxyethyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC=C(C=C1)CNC(=C(C#N)C(=O)OCCOCC)C(C)C

Isomeric SMILES

CCCCOC1=NC=C(C=C1)CN/C(=C(/C#N)\C(=O)OCCOCC)/C(C)C

InChI

InChI=1S/C21H31N3O4/c1-5-7-10-27-19-9-8-17(14-23-19)15-24-20(16(3)4)18(13-22)21(25)28-12-11-26-6-2/h8-9,14,16,24H,5-7,10-12,15H2,1-4H3/b20-18-