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

Systemtic Name: (phenylmethyl) (4S,4aS)-4-(3-methoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: benzyl (4S,4aS)-4-(4-hydroxy-3-methoxy-phenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,4aS)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S,4aS)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,4aS)-4-(4-hydroxy-3-methoxy-phenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid benzyl ester Formula: C25H25NO5 MolecularWeight: 419.4697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CCCC(=O)C2C(C1C(=O)OCC3=CC=CC=C3)C4=CC(=C(C=C4)O)OC

Isomeric SMILES

CC1=NC2=CCCC(=O)[C@H]2[C@@H](C1C(=O)OCC3=CC=CC=C3)C4=CC(=C(C=C4)O)OC

InChI

InChI=1S/C25H25NO5/c1-15-22(25(29)31-14-16-7-4-3-5-8-16)23(17-11-12-19(27)21(13-17)30-2)24-18(26-15)9-6-10-20(24)28/h3-5,7-9,11-13,22-24,27H,6,10,14H2,1-2H3/t22?,23-,24+/m1/s1