methyl 4-[3-[(2-chloranyl-4-fluoranyl-phenoxy)methyl]-4-methoxy-phenyl]-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl 4-[3-[(2-chloranyl-4-fluoranyl-phenoxy)methyl]-4-methoxy-phenyl]-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: methyl 4-[3-[(2-chloro-4-fluoro-phenoxy)methyl]-4-methoxy-phenyl]-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-[3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 4-[3-[(2-chloro-4-fluoro-phenoxy)methyl]-4-methoxy-phenyl]-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C28H29ClFNO5 MolecularWeight: 513.984963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC(=C(C=C3)OC)COC4=C(C=C(C=C4)F)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC(=C(C=C3)OC)COC4=C(C=C(C=C4)F)Cl)C(=O)OC

InChI

InChI=1S/C28H29ClFNO5/c1-15-24(27(33)35-5)25(26-20(31-15)12-28(2,3)13-21(26)32)16-6-8-22(34-4)17(10-16)14-36-23-9-7-18(30)11-19(23)29/h6-12,25-26,31H,13-14H2,1-5H3