propyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-(2-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: propyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-(2-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: propyl (4S)-2,7,7-trimethyl-5-oxo-4-(2-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-(2-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid propyl ester IUPAC Name: propyl (4S)-2,7,7-trimethyl-5-oxo-4-(2-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(2-propoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid propyl ester Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCC)C

Isomeric SMILES

CCCOC1=CC=CC=C1[C@H]2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCC)C

InChI

InChI=1S/C25H33NO4/c1-6-12-29-20-11-9-8-10-17(20)22-21(24(28)30-13-7-2)16(3)26-18-14-25(4,5)15-19(27)23(18)22/h8-11,22,26H,6-7,12-15H2,1-5H3/t22-/m1/s1