(3S,4R)-3-(4-chlorophenyl)-2-cyclohexyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate

Systemtic Name: (3S,4R)-3-(4-chlorophenyl)-2-cyclohexyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: (3S,4R)-3-(4-chlorophenyl)-2-cyclohexyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3S,4R)-3-(4-chlorophenyl)-2-cyclohexyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylate IUPAC Name: (3S,4R)-3-(4-chlorophenyl)-2-cyclohexyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3S,4R)-3-(4-chlorophenyl)-2-cyclohexyl-1-keto-3,4-dihydroisoquinoline-4-carboxylate Formula: C22H21ClNO3- MolecularWeight: 382.86004

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(C(C3=CC=CC=C3C2=O)C(=O)[O-])C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)N2[C@@H]([C@@H](C3=CC=CC=C3C2=O)C(=O)[O-])C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClNO3/c23-15-12-10-14(11-13-15)20-19(22(26)27)17-8-4-5-9-18(17)21(25)24(20)16-6-2-1-3-7-16/h4-5,8-13,16,19-20H,1-3,6-7H2,(H,26,27)/p-1/t19-,20-/m1/s1