4-[2,4-bis(oxidanylidene)cyclohexyl]butyl N-(7-methoxy-2-oxidanylidene-4a,8a-dihydrochromen-3-yl)carbamate

Systemtic Name: 4-[2,4-bis(oxidanylidene)cyclohexyl]butyl N-(7-methoxy-2-oxidanylidene-4a,8a-dihydrochromen-3-yl)carbamate Openeye Name: 4-(2,4-dioxocyclohexyl)butyl N-(7-methoxy-2-oxo-4a,8a-dihydrochromen-3-yl)carbamate CAS Name: N-(7-methoxy-2-oxo-4a,8a-dihydro-1-benzopyran-3-yl)carbamic acid 4-(2,4-dioxocyclohexyl)butyl ester IUPAC Name: 4-(2,4-dioxocyclohexyl)butyl N-(7-methoxy-2-oxo-4a,8a-dihydrochromen-3-yl)carbamate Traditional Name: N-(2-keto-7-methoxy-4a,8a-dihydrochromen-3-yl)carbamic acid 4-(2,4-diketocyclohexyl)butyl ester Formula: C21H25NO7 MolecularWeight: 403.4257

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2C(C=C1)C=C(C(=O)O2)NC(=O)OCCCCC3CCC(=O)CC3=O

Isomeric SMILES

COC1=CC2C(C=C1)C=C(C(=O)O2)NC(=O)OCCCCC3CCC(=O)CC3=O

InChI

InChI=1S/C21H25NO7/c1-27-16-8-6-14-10-17(20(25)29-19(14)12-16)22-21(26)28-9-3-2-4-13-5-7-15(23)11-18(13)24/h6,8,10,12-14,19H,2-5,7,9,11H2,1H3,(H,22,26)