methyl 5-[4-(5-methoxy-5-oxidanylidene-pentyl)naphthalen-1-yl]pentanoate

Systemtic Name: methyl 5-[4-(5-methoxy-5-oxidanylidene-pentyl)naphthalen-1-yl]pentanoate Openeye Name: methyl 5-[4-(5-methoxy-5-oxo-pentyl)-1-naphthyl]pentanoate CAS Name: 5-[4-(5-methoxy-5-oxopentyl)-1-naphthalenyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[4-(5-methoxy-5-oxopentyl)naphthalen-1-yl]pentanoate Traditional Name: 5-[4-(5-keto-5-methoxy-pentyl)-1-naphthyl]valeric acid methyl ester Formula: C22H28O4 MolecularWeight: 356.45532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC1=CC=C(C2=CC=CC=C12)CCCCC(=O)OC

Isomeric SMILES

COC(=O)CCCCC1=CC=C(C2=CC=CC=C12)CCCCC(=O)OC

InChI

InChI=1S/C22H28O4/c1-25-21(23)13-7-3-9-17-15-16-18(10-4-8-14-22(24)26-2)20-12-6-5-11-19(17)20/h5-6,11-12,15-16H,3-4,7-10,13-14H2,1-2H3