[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-[cyclohexen-1-yl(2-furylmethyl)amino]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[1-cyclohexenyl(2-furanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-[cyclohexen-1-yl(2-furfuryl)amino]-2-keto-ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)N(CC2=CC=CO2)C(=O)COC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCC(=CC1)N(CC2=CC=CO2)C(=O)COC(=O)C3=CC=CC(=C3)C#N

InChI

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