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

Systemtic Name: methyl 4-[3-[(2-bromanylphenoxy)methyl]-4-methoxy-phenyl]-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 4-[3-[(2-bromophenoxy)methyl]-4-methoxy-phenyl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-[3-[(2-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-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-[3-[(2-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=C4Br)C(=O)OC

Isomeric SMILES

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC(=C(C=C3)OC)COC4=CC=CC=C4Br)C(=O)OC

InChI

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