phenethyl (4S)-2-methyl-5-oxidanylidene-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: phenethyl (4S)-2-methyl-5-oxidanylidene-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: phenethyl (4S)-2-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S)-2-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4S)-2-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S)-4-asaryl-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester Formula: C28H31NO6 MolecularWeight: 477.54884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCC3=CC=CC=C3)C4=CC(=C(C=C4OC)OC)OC)C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCC3=CC=CC=C3)C4=CC(=C(C=C4OC)OC)OC)C(=O)CCC2

InChI

InChI=1S/C28H31NO6/c1-17-25(28(31)35-14-13-18-9-6-5-7-10-18)26(27-20(29-17)11-8-12-21(27)30)19-15-23(33-3)24(34-4)16-22(19)32-2/h5-7,9-10,15-16,25-26H,8,11-14H2,1-4H3/t25?,26-/m1/s1