3-[5-[(Z)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate

Systemtic Name: 3-[5-[(Z)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: 3-[5-[(Z)-2-cyano-3-(cyclohexylamino)-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 3-[5-[(Z)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[(Z)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 3-[5-[(Z)-2-cyano-3-(cyclohexylamino)-3-keto-prop-1-enyl]-2-furyl]benzoate Formula: C21H19N2O4- MolecularWeight: 363.38656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)[O-])C#N

Isomeric SMILES

C1CCC(CC1)NC(=O)/C(=C\C2=CC=C(O2)C3=CC(=CC=C3)C(=O)[O-])/C#N

InChI

InChI=1S/C21H20N2O4/c22-13-16(20(24)23-17-7-2-1-3-8-17)12-18-9-10-19(27-18)14-5-4-6-15(11-14)21(25)26/h4-6,9-12,17H,1-3,7-8H2,(H,23,24)(H,25,26)/p-1/b16-12-