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

Systemtic Name: methyl (4S,7S)-4-(2-ethoxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: methyl (4S,7S)-4-(2-ethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,7S)-4-(2-ethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S,7S)-4-(2-ethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,7S)-5-keto-2-methyl-4-o-phenetyl-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid methyl ester Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C3C(=NC(=C2C(=O)OC)C)CC(CC3=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO4/c1-4-31-22-13-9-8-12-19(22)24-23(26(29)30-3)16(2)27-20-14-18(15-21(28)25(20)24)17-10-6-5-7-11-17/h5-13,18,24-25H,4,14-15H2,1-3H3/t18-,24-,25?/m0/s1