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

Systemtic Name: methyl 4-[3-[(3-bromanylphenoxy)methyl]-4-methoxy-phenyl]-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: methyl 4-[3-[(3-bromophenoxy)methyl]-4-methoxy-phenyl]-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-[3-[(3-bromophenoxy)methyl]-4-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[3-[(3-bromophenoxy)methyl]-4-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 4-[3-[(3-bromophenoxy)methyl]-4-methoxy-phenyl]-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C28H30BrNO5 MolecularWeight: 540.4455

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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=CC(=CC=C4)Br)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H30BrNO5/c1-16-24(27(32)34-5)25(26-21(30-16)13-28(2,3)14-22(26)31)17-9-10-23(33-4)18(11-17)15-35-20-8-6-7-19(29)12-20/h6-13,25-26,30H,14-15H2,1-5H3