3-azanylpropyl (E)-2-cyano-3-(4,5-dimethoxy-2,3-dimethyl-6-octyl-phenyl)but-2-enoate

Systemtic Name: 3-azanylpropyl (E)-2-cyano-3-(4,5-dimethoxy-2,3-dimethyl-6-octyl-phenyl)but-2-enoate Openeye Name: 3-aminopropyl (E)-2-cyano-3-(4,5-dimethoxy-2,3-dimethyl-6-octyl-phenyl)but-2-enoate CAS Name: (E)-2-cyano-3-(4,5-dimethoxy-2,3-dimethyl-6-octylphenyl)-2-butenoic acid 3-aminopropyl ester IUPAC Name: 3-aminopropyl (E)-2-cyano-3-(4,5-dimethoxy-2,3-dimethyl-6-octylphenyl)but-2-enoate Traditional Name: (E)-2-cyano-3-(4,5-dimethoxy-2,3-dimethyl-6-octyl-phenyl)but-2-enoic acid 3-aminopropyl ester Formula: C26H40N2O4 MolecularWeight: 444.6068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C(=C1C(=C(C#N)C(=O)OCCCN)C)C)C)OC)OC

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C(=C1/C(=C(\C#N)/C(=O)OCCCN)/C)C)C)OC)OC

InChI

InChI=1S/C26H40N2O4/c1-7-8-9-10-11-12-14-21-23(18(2)19(3)24(30-5)25(21)31-6)20(4)22(17-28)26(29)32-16-13-15-27/h7-16,27H2,1-6H3/b22-20+