[(2R)-1-[(3-chloranyl-4-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [(2R)-1-[(3-chloranyl-4-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [(1R)-2-(3-chloro-4-methoxy-anilino)-1-methyl-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [(1R)-2-(3-chloro-4-methoxy-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H17ClN2O5 MolecularWeight: 400.81238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)OC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)OC)Cl)OC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C20H17ClN2O5/c1-11(18(24)22-13-7-8-17(27-2)15(21)10-13)28-20(26)16-9-12-5-3-4-6-14(12)19(25)23-16/h3-11H,1-2H3,(H,22,24)(H,23,25)/t11-/m1/s1