ethyl (4R)-4-(3-hydroxyphenyl)-7,7-dimethyl-5-oxidanylidene-2-phenyl-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl (4R)-4-(3-hydroxyphenyl)-7,7-dimethyl-5-oxidanylidene-2-phenyl-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl (4R)-4-(3-hydroxyphenyl)-7,7-dimethyl-5-oxo-2-phenyl-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(3-hydroxyphenyl)-7,7-dimethyl-5-oxo-2-phenyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(3-hydroxyphenyl)-7,7-dimethyl-5-oxo-2-phenyl-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-(3-hydroxyphenyl)-5-keto-7,7-dimethyl-2-phenyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C3=CC=CC=C3)C4=CC(=CC=C4)O

Isomeric SMILES

CCOC(=O)C1[C@@H](C2=C(CC(CC2=O)(C)C)N=C1C3=CC=CC=C3)C4=CC(=CC=C4)O

InChI

InChI=1S/C26H27NO4/c1-4-31-25(30)23-21(17-11-8-12-18(28)13-17)22-19(14-26(2,3)15-20(22)29)27-24(23)16-9-6-5-7-10-16/h5-13,21,23,28H,4,14-15H2,1-3H3/t21-,23?/m1/s1