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

Systemtic Name: 4-[[4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: 4-[[4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxo-prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate IUPAC Name: 4-[[4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[(E)-2-cyano-3-(cyclohexylamino)-3-keto-prop-1-enyl]phenoxy]methyl]benzoate Formula: C24H23N2O4- MolecularWeight: 403.45042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)[O-])C#N

Isomeric SMILES

C1CCC(CC1)NC(=O)/C(=C/C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)[O-])/C#N

InChI

InChI=1S/C24H24N2O4/c25-15-20(23(27)26-21-4-2-1-3-5-21)14-17-8-12-22(13-9-17)30-16-18-6-10-19(11-7-18)24(28)29/h6-14,21H,1-5,16H2,(H,26,27)(H,28,29)/p-1/b20-14+