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

Systemtic Name: methyl 4-[3-[(3-bromanylphenoxy)methyl]-4-methoxy-phenyl]-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 4-[3-[(3-bromophenoxy)methyl]-4-methoxy-phenyl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-[3-[(3-bromophenoxy)methyl]-4-methoxyphenyl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[3-[(3-bromophenoxy)methyl]-4-methoxyphenyl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-[3-[(3-bromophenoxy)methyl]-4-methoxy-phenyl]-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester Formula: C26H26BrNO5 MolecularWeight: 512.39234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrNO5/c1-15-23(26(30)32-3)24(25-20(28-15)8-5-9-21(25)29)16-10-11-22(31-2)17(12-16)14-33-19-7-4-6-18(27)13-19/h4,6-8,10-13,24-25,28H,5,9,14H2,1-3H3