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

Systemtic Name: 2-methoxyethyl (4R,7R)-4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: 2-methoxyethyl (4R,7R)-4-(3-bromo-5-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-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4R,7R)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R,7R)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-5-keto-2-methyl-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid 2-methoxyethyl ester Formula: C28H30BrNO6 MolecularWeight: 556.4449

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C3C(=NC(=C2C(=O)OCCOC)C)CC(CC3=O)C4=CC=CC=C4)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C28H30BrNO6/c1-4-35-23-15-19(12-20(29)27(23)32)25-24(28(33)36-11-10-34-3)16(2)30-21-13-18(14-22(31)26(21)25)17-8-6-5-7-9-17/h5-9,12,15,18,25-26,32H,4,10-11,13-14H2,1-3H3/t18-,25-,26?/m1/s1