methyl (4S,4aR,7S)-4-(4-dimethylaminophenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: methyl (4S,4aR,7S)-4-(4-dimethylaminophenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: methyl (4S,4aR,7S)-4-(4-dimethylaminophenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,4aR,7S)-4-(4-dimethylaminophenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S,4aR,7S)-4-(4-dimethylaminophenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,4aR,7S)-4-(4-dimethylaminophenyl)-5-keto-2-methyl-7-phenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(CC(=O)C2C(C1C(=O)OC)C3=CC=C(C=C3)N(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C[C@H](CC(=O)[C@@H]2[C@@H](C1C(=O)OC)C3=CC=C(C=C3)N(C)C)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3/c1-16-23(26(30)31-4)24(18-10-12-20(13-11-18)28(2)3)25-21(27-16)14-19(15-22(25)29)17-8-6-5-7-9-17/h5-14,19,23-25H,15H2,1-4H3/t19-,23?,24-,25-/m1/s1