ethyl (4R)-2-ethyl-7,7-dimethyl-5-oxidanylidene-4-(2-propoxyphenyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl (4R)-2-ethyl-7,7-dimethyl-5-oxidanylidene-4-(2-propoxyphenyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl (4R)-2-ethyl-7,7-dimethyl-5-oxo-4-(2-propoxyphenyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-2-ethyl-7,7-dimethyl-5-oxo-4-(2-propoxyphenyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-2-ethyl-7,7-dimethyl-5-oxo-4-(2-propoxyphenyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-2-ethyl-5-keto-7,7-dimethyl-4-(2-propoxyphenyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2C3C(=NC(=C2C(=O)OCC)CC)CC(CC3=O)(C)C

Isomeric SMILES

CCCOC1=CC=CC=C1[C@H]2C3C(=NC(=C2C(=O)OCC)CC)CC(CC3=O)(C)C

InChI

InChI=1S/C25H33NO4/c1-6-13-30-20-12-10-9-11-16(20)21-22-18(14-25(4,5)15-19(22)27)26-17(7-2)23(21)24(28)29-8-3/h9-12,21-22H,6-8,13-15H2,1-5H3/t21-,22?/m0/s1