methyl 4-[[(2R)-7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[(2R)-7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[(2R)-7-(4-chlorophenyl)-5-methyl-2,3-dihydrobenzofuran-2-yl]methylamino]-4-oxo-butanoate CAS Name: 4-[[(2R)-7-(4-chlorophenyl)-5-methyl-2,3-dihydrobenzofuran-2-yl]methylamino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[(2R)-7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methylamino]-4-oxobutanoate Traditional Name: 4-[[(2R)-7-(4-chlorophenyl)-5-methyl-coumaran-2-yl]methylamino]-4-keto-butyric acid methyl ester Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)C3=CC=C(C=C3)Cl)OC(C2)CNC(=O)CCC(=O)OC

Isomeric SMILES

CC1=CC2=C(C(=C1)C3=CC=C(C=C3)Cl)O[C@H](C2)CNC(=O)CCC(=O)OC

InChI

InChI=1S/C21H22ClNO4/c1-13-9-15-11-17(12-23-19(24)7-8-20(25)26-2)27-21(15)18(10-13)14-3-5-16(22)6-4-14/h3-6,9-10,17H,7-8,11-12H2,1-2H3,(H,23,24)/t17-/m1/s1