(3S,4R)-2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate

Systemtic Name: (3S,4R)-2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: (3S,4R)-2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3S,4R)-2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate IUPAC Name: (3S,4R)-2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3S,4R)-2-cyclopentyl-3-(2,4-dichlorophenyl)-1-keto-3,4-dihydroisoquinoline-4-carboxylate Formula: C21H18Cl2NO3- MolecularWeight: 403.27852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(C(C3=CC=CC=C3C2=O)C(=O)[O-])C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCC(C1)N2[C@@H]([C@@H](C3=CC=CC=C3C2=O)C(=O)[O-])C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H19Cl2NO3/c22-12-9-10-16(17(23)11-12)19-18(21(26)27)14-7-3-4-8-15(14)20(25)24(19)13-5-1-2-6-13/h3-4,7-11,13,18-19H,1-2,5-6H2,(H,26,27)/p-1/t18-,19-/m1/s1