methyl 4-[3-[(4-bromanyl-2-chloranyl-phenoxy)methyl]-4-methoxy-phenyl]-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: methyl 4-[3-[(4-bromanyl-2-chloranyl-phenoxy)methyl]-4-methoxy-phenyl]-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 4-[3-[(4-bromo-2-chloro-phenoxy)methyl]-4-methoxy-phenyl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-[3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-[3-[(4-bromo-2-chloro-phenoxy)methyl]-4-methoxy-phenyl]-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester Formula: C26H25BrClNO5 MolecularWeight: 546.8374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25BrClNO5/c1-14-23(26(31)33-3)24(25-19(29-14)5-4-6-20(25)30)15-7-9-21(32-2)16(11-15)13-34-22-10-8-17(27)12-18(22)28/h5,7-12,24-25,29H,4,6,13H2,1-3H3