[2-(3-methyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)carbonylamino]butanoate

Systemtic Name: [2-(3-methyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)carbonylamino]butanoate Openeye Name: [2-(3-methylbenzofuran-2-yl)-2-oxo-ethyl] 4-[(4-chlorobenzoyl)amino]butanoate CAS Name: 4-[[(4-chlorophenyl)-oxomethyl]amino]butanoic acid [2-(3-methyl-2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate Traditional Name: 4-[(4-chlorobenzoyl)amino]butyric acid [2-keto-2-(3-methylbenzofuran-2-yl)ethyl] ester Formula: C22H20ClNO5 MolecularWeight: 413.8509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)COC(=O)CCCNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)COC(=O)CCCNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H20ClNO5/c1-14-17-5-2-3-6-19(17)29-21(14)18(25)13-28-20(26)7-4-12-24-22(27)15-8-10-16(23)11-9-15/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,24,27)