butyl (4S)-4-(4-methoxycarbonylphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: butyl (4S)-4-(4-methoxycarbonylphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: butyl (4S)-4-(4-methoxycarbonylphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(4-methoxycarbonylphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester IUPAC Name: butyl (4S)-4-(4-methoxycarbonylphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(4-carbomethoxyphenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(=O)OC)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=C(C=C3)C(=O)OC)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C25H31NO5/c1-6-7-12-31-24(29)20-15(2)26-18-13-25(3,4)14-19(27)22(18)21(20)16-8-10-17(11-9-16)23(28)30-5/h8-11,21,26H,6-7,12-14H2,1-5H3/t21-/m1/s1