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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCOC(=O)C1[C@@H](C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC=C(C=C3)C(=O)OC

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/h8-11,20-21H,6-7,12-14H2,1-5H3/t20?,21-/m0/s1