[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 5-chloranyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C21H20ClNO4/c1-14(7-8-15-5-3-2-4-6-15)23-20(24)13-26-21(25)19-12-16-11-17(22)9-10-18(16)27-19/h2-6,9-12,14H,7-8,13H2,1H3,(H,23,24)/t14-/m1/s1