propan-2-yl (4S)-4-(3-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: propan-2-yl (4S)-4-(3-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: isopropyl (4S)-4-(3-ethoxy-4-hydroxy-phenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4S)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S)-4-(3-ethoxy-4-hydroxy-phenyl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid isopropyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3C(=NC(=C2C(=O)OC(C)C)C)CCCC3=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H]2C3C(=NC(=C2C(=O)OC(C)C)C)CCCC3=O)O

InChI

InChI=1S/C22H27NO5/c1-5-27-18-11-14(9-10-16(18)24)20-19(22(26)28-12(2)3)13(4)23-15-7-6-8-17(25)21(15)20/h9-12,20-21,24H,5-8H2,1-4H3/t20-,21?/m0/s1