phenethyl (4R,4aR)-4-(3-hydroxyphenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: phenethyl (4R,4aR)-4-(3-hydroxyphenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: phenethyl (4R,4aR)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R,4aR)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4R,4aR)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R,4aR)-4-(3-hydroxyphenyl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid phenethyl ester Formula: C25H25NO4 MolecularWeight: 403.4703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=N1)CCCC2=O)C3=CC(=CC=C3)O)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C([C@H]([C@@H]2C(=N1)CCCC2=O)C3=CC(=CC=C3)O)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C25H25NO4/c1-16-22(25(29)30-14-13-17-7-3-2-4-8-17)23(18-9-5-10-19(27)15-18)24-20(26-16)11-6-12-21(24)28/h2-5,7-10,15,23-24,27H,6,11-14H2,1H3/t23-,24-/m1/s1