(phenylmethyl) 4-(3-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: (phenylmethyl) 4-(3-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: benzyl 4-(3-ethoxy-4-hydroxy-phenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-ethoxy-4-hydroxy-phenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid benzyl ester Formula: C26H27NO5 MolecularWeight: 433.49628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3C(=O)CCC=C3NC(=C2C(=O)OCC4=CC=CC=C4)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C3C(=O)CCC=C3NC(=C2C(=O)OCC4=CC=CC=C4)C)O

InChI

InChI=1S/C26H27NO5/c1-3-31-22-14-18(12-13-20(22)28)24-23(26(30)32-15-17-8-5-4-6-9-17)16(2)27-19-10-7-11-21(29)25(19)24/h4-6,8-10,12-14,24-25,27-28H,3,7,11,15H2,1-2H3