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

Systemtic Name: phenethyl (4R,7R)-4-(3-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: phenethyl (4R,7R)-4-(3-ethoxy-4-hydroxy-phenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R,7R)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4R,7R)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R,7R)-4-(3-ethoxy-4-hydroxy-phenyl)-5-keto-2-methyl-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid phenethyl ester Formula: C33H33NO5 MolecularWeight: 523.61882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3C(=NC(=C2C(=O)OCCC4=CC=CC=C4)C)CC(CC3=O)C5=CC=CC=C5)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2C3C(=NC(=C2C(=O)OCCC4=CC=CC=C4)C)C[C@H](CC3=O)C5=CC=CC=C5)O

InChI

InChI=1S/C33H33NO5/c1-3-38-29-20-24(14-15-27(29)35)31-30(33(37)39-17-16-22-10-6-4-7-11-22)21(2)34-26-18-25(19-28(36)32(26)31)23-12-8-5-9-13-23/h4-15,20,25,31-32,35H,3,16-19H2,1-2H3/t25-,31-,32?/m1/s1