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

Systemtic Name: (4-methoxyphenyl)methyl (4S)-4-(3-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: (4-methoxyphenyl)methyl (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 (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (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 p-anisyl ester Formula: C27H29NO6 MolecularWeight: 463.52226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3C(=NC(=C2C(=O)OCC4=CC=C(C=C4)OC)C)CCCC3=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H]2C3C(=NC(=C2C(=O)OCC4=CC=C(C=C4)OC)C)CCCC3=O)O

InChI

InChI=1S/C27H29NO6/c1-4-33-23-14-18(10-13-21(23)29)25-24(16(2)28-20-6-5-7-22(30)26(20)25)27(31)34-15-17-8-11-19(32-3)12-9-17/h8-14,25-26,29H,4-7,15H2,1-3H3/t25-,26?/m0/s1