ethyl 2-[(3-heptoxyphenyl)methyl]-3-oxidanylidene-pentanoate

Systemtic Name: ethyl 2-[(3-heptoxyphenyl)methyl]-3-oxidanylidene-pentanoate Openeye Name: ethyl 2-[(3-heptoxyphenyl)methyl]-3-oxo-pentanoate CAS Name: 2-[(3-heptoxyphenyl)methyl]-3-oxopentanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-heptoxyphenyl)methyl]-3-oxopentanoate Traditional Name: 2-(3-heptoxybenzyl)-3-keto-valeric acid ethyl ester Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)CC(C(=O)CC)C(=O)OCC

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)CC(C(=O)CC)C(=O)OCC

InChI

InChI=1S/C21H32O4/c1-4-7-8-9-10-14-25-18-13-11-12-17(15-18)16-19(20(22)5-2)21(23)24-6-3/h11-13,15,19H,4-10,14,16H2,1-3H3