2-phenoxyethyl (4S,4aS)-4-(4-acetyloxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: 2-phenoxyethyl (4S,4aS)-4-(4-acetyloxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-phenoxyethyl (4S,4aS)-4-(4-acetoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,4aS)-4-(4-acetyloxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (4S,4aS)-4-(4-acetyloxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,4aS)-4-(4-acetoxyphenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid 2-phenoxyethyl ester Formula: C27H27NO6 MolecularWeight: 461.50638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CCCC(=O)C2C(C1C(=O)OCCOC3=CC=CC=C3)C4=CC=C(C=C4)OC(=O)C

Isomeric SMILES

CC1=NC2=CCCC(=O)[C@H]2[C@@H](C1C(=O)OCCOC3=CC=CC=C3)C4=CC=C(C=C4)OC(=O)C

InChI

InChI=1S/C27H27NO6/c1-17-24(27(31)33-16-15-32-20-7-4-3-5-8-20)25(26-22(28-17)9-6-10-23(26)30)19-11-13-21(14-12-19)34-18(2)29/h3-5,7-9,11-14,24-26H,6,10,15-16H2,1-2H3/t24?,25-,26+/m1/s1