methyl (4R)-4-(1-ethyl-3-methyl-pyrazol-4-yl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl (4R)-4-(1-ethyl-3-methyl-pyrazol-4-yl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl (4R)-4-(1-ethyl-3-methyl-pyrazol-4-yl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(1-ethyl-3-methyl-4-pyrazolyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4R)-4-(1-ethyl-3-methylpyrazol-4-yl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-(1-ethyl-3-methyl-pyrazol-4-yl)-5-keto-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C2C3C(=NC(=C2C(=O)OC)C)CC(CC3=O)(C)C

Isomeric SMILES

CCN1C=C(C(=N1)C)[C@H]2C3C(=NC(=C2C(=O)OC)C)CC(CC3=O)(C)C

InChI

InChI=1S/C20H27N3O3/c1-7-23-10-13(11(2)22-23)17-16(19(25)26-6)12(3)21-14-8-20(4,5)9-15(24)18(14)17/h10,17-18H,7-9H2,1-6H3/t17-,18?/m1/s1