methyl 4-[[2-[(E)-2-cyano-3-(octylamino)-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(E)-2-cyano-3-(octylamino)-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[2-[(E)-2-cyano-3-(octylamino)-3-oxo-prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-[(E)-2-cyano-3-(octylamino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(E)-2-cyano-3-(octylamino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[2-[(E)-2-cyano-3-keto-3-(octylamino)prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C(=CC1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)OC)C#N

Isomeric SMILES

CCCCCCCCNC(=O)/C(=C/C1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)OC)/C#N

InChI

InChI=1S/C27H32N2O4/c1-3-4-5-6-7-10-17-29-26(30)24(19-28)18-23-11-8-9-12-25(23)33-20-21-13-15-22(16-14-21)27(31)32-2/h8-9,11-16,18H,3-7,10,17,20H2,1-2H3,(H,29,30)/b24-18+