pentyl (4R)-4-(4-dimethylaminophenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: pentyl (4R)-4-(4-dimethylaminophenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: pentyl (4R)-4-(4-dimethylaminophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(4-dimethylaminophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4R)-4-(4-dimethylaminophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-(4-dimethylaminophenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid amyl ester Formula: C26H36N2O3 MolecularWeight: 424.57564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCCCCOC(=O)C1[C@@H](C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C26H36N2O3/c1-7-8-9-14-31-25(30)22-17(2)27-20-15-26(3,4)16-21(29)24(20)23(22)18-10-12-19(13-11-18)28(5)6/h10-13,22-23H,7-9,14-16H2,1-6H3/t22?,23-/m0/s1