[1-(1-oxidanylideneisochromen-3-yl)cyclohexyl] 4-cyanobenzoate

Systemtic Name: [1-(1-oxidanylideneisochromen-3-yl)cyclohexyl] 4-cyanobenzoate Openeye Name: [1-(1-oxoisochromen-3-yl)cyclohexyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [1-(1-oxo-2-benzopyran-3-yl)cyclohexyl] ester IUPAC Name: [1-(1-oxoisochromen-3-yl)cyclohexyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [1-(1-ketoisochromen-3-yl)cyclohexyl] ester Formula: C23H19NO4 MolecularWeight: 373.40126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=CC3=CC=CC=C3C(=O)O2)OC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCC(CC1)(C2=CC3=CC=CC=C3C(=O)O2)OC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H19NO4/c24-15-16-8-10-17(11-9-16)21(25)28-23(12-4-1-5-13-23)20-14-18-6-2-3-7-19(18)22(26)27-20/h2-3,6-11,14H,1,4-5,12-13H2