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

Systemtic Name: (3S,4R)-2-cyclohexyl-1-oxidanylidene-3-phenyl-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: (3S,4R)-2-cyclohexyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3S,4R)-2-cyclohexyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylate IUPAC Name: (3S,4R)-2-cyclohexyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3S,4R)-2-cyclohexyl-1-keto-3-phenyl-3,4-dihydroisoquinoline-4-carboxylate Formula: C22H22NO3- MolecularWeight: 348.41498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO3/c24-21-18-14-8-7-13-17(18)19(22(25)26)20(15-9-3-1-4-10-15)23(21)16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16,19-20H,2,5-6,11-12H2,(H,25,26)/p-1/t19-,20-/m1/s1