(phenylmethyl) (3S,4S)-2-methyl-4-(2-methylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: (phenylmethyl) (3S,4S)-2-methyl-4-(2-methylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: benzyl (3S,4S)-2-methyl-4-(o-tolyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (3S,4S)-2-methyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S,4S)-2-methyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (3S,4S)-5-keto-2-methyl-4-(o-tolyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid benzyl ester Formula: C25H25NO3 MolecularWeight: 387.4709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(C(=NC3=C2C(=O)CCC3)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1[C@@H]2[C@@H](C(=NC3=C2C(=O)CCC3)C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H25NO3/c1-16-9-6-7-12-19(16)23-22(25(28)29-15-18-10-4-3-5-11-18)17(2)26-20-13-8-14-21(27)24(20)23/h3-7,9-12,22-23H,8,13-15H2,1-2H3/t22-,23-/m1/s1