2-phenoxyethyl (4S)-2-methyl-5-oxidanylidene-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: 2-phenoxyethyl (4S)-2-methyl-5-oxidanylidene-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-phenoxyethyl (4S)-4-(4-isopropylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S)-2-methyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (4S)-2-methyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S)-5-keto-2-methyl-4-p-cumenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-phenoxyethyl ester Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCOC3=CC=CC=C3)C4=CC=C(C=C4)C(C)C)C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCOC3=CC=CC=C3)C4=CC=C(C=C4)C(C)C)C(=O)CCC2

InChI

InChI=1S/C28H31NO4/c1-18(2)20-12-14-21(15-13-20)26-25(19(3)29-23-10-7-11-24(30)27(23)26)28(31)33-17-16-32-22-8-5-4-6-9-22/h4-6,8-9,12-15,18,25-26H,7,10-11,16-17H2,1-3H3/t25?,26-/m1/s1