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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C3C(=NC(=C2C(=O)OCC4=CC=CC=C4)C)CCCC3=O

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO4/c1-3-30-22-15-8-7-12-19(22)24-23(26(29)31-16-18-10-5-4-6-11-18)17(2)27-20-13-9-14-21(28)25(20)24/h4-8,10-12,15,24-25H,3,9,13-14,16H2,1-2H3/t24-,25?/m0/s1