methyl (4R)-4-(4-cyclopropylcarbonyloxy-3-ethoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl (4R)-4-(4-cyclopropylcarbonyloxy-3-ethoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl (4R)-4-[4-(cyclopropanecarbonyloxy)-3-ethoxy-phenyl]-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-[4-[cyclopropyl(oxo)methoxy]-3-ethoxyphenyl]-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4R)-4-[4-(cyclopropanecarbonyloxy)-3-ethoxyphenyl]-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-[4-(cyclopropanecarbonyloxy)-3-ethoxy-phenyl]-5-keto-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C26H31NO6 MolecularWeight: 453.52744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3C(=NC(=C2C(=O)OC)C)CC(CC3=O)(C)C)OC(=O)C4CC4

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2C3C(=NC(=C2C(=O)OC)C)CC(CC3=O)(C)C)OC(=O)C4CC4

InChI

InChI=1S/C26H31NO6/c1-6-32-20-11-16(9-10-19(20)33-24(29)15-7-8-15)22-21(25(30)31-5)14(2)27-17-12-26(3,4)13-18(28)23(17)22/h9-11,15,22-23H,6-8,12-13H2,1-5H3/t22-,23?/m1/s1