ethyl 2,7,7-trimethyl-5-oxidanylidene-4-(2-propan-2-yloxyphenyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 2,7,7-trimethyl-5-oxidanylidene-4-(2-propan-2-yloxyphenyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 4-(2-isopropoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-5-oxo-4-(2-propan-2-yloxyphenyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,7,7-trimethyl-5-oxo-4-(2-propan-2-yloxyphenyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(2-isopropoxyphenyl)-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC=CC=C3OC(C)C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC=CC=C3OC(C)C)(C)C)C

InChI

InChI=1S/C24H31NO4/c1-7-28-23(27)20-15(4)25-17-12-24(5,6)13-18(26)22(17)21(20)16-10-8-9-11-19(16)29-14(2)3/h8-12,14,21-22,25H,7,13H2,1-6H3