methyl 4-[5-[(4-bromanylphenoxy)methyl]-2,4-dimethyl-phenyl]-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: methyl 4-[5-[(4-bromanylphenoxy)methyl]-2,4-dimethyl-phenyl]-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 4-[5-[(4-bromophenoxy)methyl]-2,4-dimethyl-phenyl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-[5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-[5-[(4-bromophenoxy)methyl]-2,4-dimethyl-phenyl]-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester Formula: C27H28BrNO4 MolecularWeight: 510.41952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2C3C(=O)CCC=C3NC(=C2C(=O)OC)C)COC4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1C2C3C(=O)CCC=C3NC(=C2C(=O)OC)C)COC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C27H28BrNO4/c1-15-12-16(2)21(13-18(15)14-33-20-10-8-19(28)9-11-20)25-24(27(31)32-4)17(3)29-22-6-5-7-23(30)26(22)25/h6,8-13,25-26,29H,5,7,14H2,1-4H3