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

Systemtic Name: 2-methoxyethyl (4S,4aS,7S)-4-(4-acetyloxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-methoxyethyl (4S,4aS,7S)-4-(4-acetoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,4aS,7S)-4-(4-acetyloxyphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4S,4aS,7S)-4-(4-acetyloxyphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,4aS,7S)-4-(4-acetoxyphenyl)-5-keto-2-methyl-7-phenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid 2-methoxyethyl ester Formula: C28H29NO6 MolecularWeight: 475.53296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29NO6/c1-17-25(28(32)34-14-13-33-3)26(20-9-11-22(12-10-20)35-18(2)30)27-23(29-17)15-21(16-24(27)31)19-7-5-4-6-8-19/h4-12,15,21,25-27H,13-14,16H2,1-3H3/t21-,25?,26-,27+/m1/s1