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

Systemtic Name: methyl 2-chloranyl-3-[4-[(4-oxidanylidenecyclohexyl)methoxy]phenyl]propanoate Openeye Name: methyl 2-chloro-3-[4-[(4-oxocyclohexyl)methoxy]phenyl]propanoate CAS Name: 2-chloro-3-[4-[(4-oxocyclohexyl)methoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-chloro-3-[4-[(4-oxocyclohexyl)methoxy]phenyl]propanoate Traditional Name: 2-chloro-3-[4-[(4-ketocyclohexyl)methoxy]phenyl]propionic acid methyl ester Formula: C17H21ClO4 MolecularWeight: 324.79924

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OCC2CCC(=O)CC2)Cl

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)OCC2CCC(=O)CC2)Cl

InChI

InChI=1S/C17H21ClO4/c1-21-17(20)16(18)10-12-4-8-15(9-5-12)22-11-13-2-6-14(19)7-3-13/h4-5,8-9,13,16H,2-3,6-7,10-11H2,1H3