(4-methoxyphenyl)methyl (4S)-4-(3-bromanyl-4-methyl-phenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (4S)-4-(3-bromanyl-4-methyl-phenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: (4-methoxyphenyl)methyl (4S)-4-(3-bromo-4-methyl-phenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S)-4-(3-bromo-4-methylphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (4S)-4-(3-bromo-4-methylphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S)-4-(3-bromo-4-methyl-phenyl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid p-anisyl ester Formula: C26H26BrNO4 MolecularWeight: 496.39294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2C3C(=NC(=C2C(=O)OCC4=CC=C(C=C4)OC)C)CCCC3=O)Br

Isomeric SMILES

CC1=C(C=C(C=C1)[C@@H]2C3C(=NC(=C2C(=O)OCC4=CC=C(C=C4)OC)C)CCCC3=O)Br

InChI

InChI=1S/C26H26BrNO4/c1-15-7-10-18(13-20(15)27)24-23(16(2)28-21-5-4-6-22(29)25(21)24)26(30)32-14-17-8-11-19(31-3)12-9-17/h7-13,24-25H,4-6,14H2,1-3H3/t24-,25?/m0/s1