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

Systemtic Name: ethyl (4S)-4-(1-ethyl-5-methyl-pyrazol-4-yl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl (4S)-4-(1-ethyl-5-methyl-pyrazol-4-yl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(1-ethyl-5-methyl-4-pyrazolyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(1-ethyl-5-methylpyrazol-4-yl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(1-ethyl-5-methyl-pyrazol-4-yl)-5-keto-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3/c1-7-24-13(4)14(11-22-24)18-17(20(26)27-8-2)12(3)23-15-9-21(5,6)10-16(25)19(15)18/h11,18-19H,7-10H2,1-6H3/t18-,19?/m0/s1