ethyl 1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: ethyl 1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: ethyl 1-[(E)-3-(4-chlorophenyl)allyl]-2-oxo-cyclohexanecarboxylate CAS Name: 1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2-oxo-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2-oxocyclohexane-1-carboxylate Traditional Name: 1-[(E)-3-(4-chlorophenyl)allyl]-2-keto-cyclohexanecarboxylic acid ethyl ester Formula: C18H21ClO3 MolecularWeight: 320.81054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCCC1=O)CC=CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1(CCCCC1=O)C/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H21ClO3/c1-2-22-17(21)18(12-4-3-7-16(18)20)13-5-6-14-8-10-15(19)11-9-14/h5-6,8-11H,2-4,7,12-13H2,1H3/b6-5+