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

Systemtic Name: [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 2,3-dimethylbenzoate Openeye Name: [2-[cyclohexen-1-yl(2-furylmethyl)amino]-2-oxo-ethyl] 2,3-dimethylbenzoate CAS Name: 2,3-dimethylbenzoic acid [2-[1-cyclohexenyl(2-furanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 2,3-dimethylbenzoate Traditional Name: 2,3-dimethylbenzoic acid [2-[cyclohexen-1-yl(2-furfuryl)amino]-2-keto-ethyl] ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)OCC(=O)N(CC2=CC=CO2)C3=CCCCC3

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)OCC(=O)N(CC2=CC=CO2)C3=CCCCC3

InChI

InChI=1S/C22H25NO4/c1-16-8-6-12-20(17(16)2)22(25)27-15-21(24)23(14-19-11-7-13-26-19)18-9-4-3-5-10-18/h6-9,11-13H,3-5,10,14-15H2,1-2H3