phenethyl (4R,4aS)-4-(3-chlorophenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: phenethyl (4R,4aS)-4-(3-chlorophenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: phenethyl (4R,4aS)-4-(3-chlorophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,4aS)-4-(3-chlorophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4R,4aS)-4-(3-chlorophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,4aS)-4-(3-chlorophenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester Formula: C25H24ClNO3 MolecularWeight: 421.91596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CCCC(=O)C2C(C1C(=O)OCCC3=CC=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=NC2=CCCC(=O)[C@H]2[C@H](C1C(=O)OCCC3=CC=CC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H24ClNO3/c1-16-22(25(29)30-14-13-17-7-3-2-4-8-17)23(18-9-5-10-19(26)15-18)24-20(27-16)11-6-12-21(24)28/h2-5,7-11,15,22-24H,6,12-14H2,1H3/t22?,23-,24-/m0/s1