2-phenoxyethyl (4S)-2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: 2-phenoxyethyl (4S)-2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-phenoxyethyl (4S)-2,7,7-trimethyl-4-(5-methyl-2-furyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-4-(5-methyl-2-furanyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (4S)-2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(5-methyl-2-furyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-phenoxyethyl ester Formula: C26H29NO5 MolecularWeight: 435.51216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCOC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(O1)[C@H]2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCOC4=CC=CC=C4)C

InChI

InChI=1S/C26H29NO5/c1-16-10-11-21(32-16)24-22(25(29)31-13-12-30-18-8-6-5-7-9-18)17(2)27-19-14-26(3,4)15-20(28)23(19)24/h5-11,24,27H,12-15H2,1-4H3/t24-/m1/s1