[4-[(E)-2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 4-hexoxybenzoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 4-hexoxybenzoate Openeye Name: [4-[(E)-3-(allylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid [4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [4-[(E)-3-(allylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC=C)OC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NCC=C)OC

InChI

InChI=1S/C27H30N2O5/c1-4-6-7-8-16-33-23-12-10-21(11-13-23)27(31)34-24-14-9-20(18-25(24)32-3)17-22(19-28)26(30)29-15-5-2/h5,9-14,17-18H,2,4,6-8,15-16H2,1,3H3,(H,29,30)/b22-17+