methyl 2-[4-(2-ethoxycarbonyl-3-oxidanylidene-heptyl)phenyl]benzoate

Systemtic Name: methyl 2-[4-(2-ethoxycarbonyl-3-oxidanylidene-heptyl)phenyl]benzoate Openeye Name: methyl 2-[4-(2-ethoxycarbonyl-3-oxo-heptyl)phenyl]benzoate CAS Name: 2-[4-(2-ethoxycarbonyl-3-oxoheptyl)phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(2-ethoxycarbonyl-3-oxoheptyl)phenyl]benzoate Traditional Name: 2-[4-(2-carbethoxy-3-keto-heptyl)phenyl]benzoic acid methyl ester Formula: C24H28O5 MolecularWeight: 396.47612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC)C(=O)OCC

Isomeric SMILES

CCCCC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC)C(=O)OCC

InChI

InChI=1S/C24H28O5/c1-4-6-11-22(25)21(24(27)29-5-2)16-17-12-14-18(15-13-17)19-9-7-8-10-20(19)23(26)28-3/h7-10,12-15,21H,4-6,11,16H2,1-3H3