methyl 2-[3-chloranyl-4-[(2-oxidanylidenecyclohexyl)methyl]phenyl]propanoate

Systemtic Name: methyl 2-[3-chloranyl-4-[(2-oxidanylidenecyclohexyl)methyl]phenyl]propanoate Openeye Name: methyl 2-[3-chloro-4-[(2-oxocyclohexyl)methyl]phenyl]propanoate CAS Name: 2-[3-chloro-4-[(2-oxocyclohexyl)methyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-[3-chloro-4-[(2-oxocyclohexyl)methyl]phenyl]propanoate Traditional Name: 2-[3-chloro-4-[(2-ketocyclohexyl)methyl]phenyl]propionic acid methyl ester Formula: C17H21ClO3 MolecularWeight: 308.79984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)CC2CCCCC2=O)Cl)C(=O)OC

Isomeric SMILES

CC(C1=CC(=C(C=C1)CC2CCCCC2=O)Cl)C(=O)OC

InChI

InChI=1S/C17H21ClO3/c1-11(17(20)21-2)12-7-8-13(15(18)10-12)9-14-5-3-4-6-16(14)19/h7-8,10-11,14H,3-6,9H2,1-2H3