methyl 3-(4-chlorophenyl)-3-[(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)carbonylamino]propanoate

Systemtic Name: methyl 3-(4-chlorophenyl)-3-[(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)carbonylamino]propanoate Openeye Name: methyl 3-(4-chlorophenyl)-3-[(2,3-dimethyl-2,3-dihydrobenzofuran-7-carbonyl)amino]propanoate CAS Name: 3-(4-chlorophenyl)-3-[[(2,3-dimethyl-2,3-dihydrobenzofuran-7-yl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-chlorophenyl)-3-[(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carbonyl)amino]propanoate Traditional Name: 3-(4-chlorophenyl)-3-[(2,3-dimethylcoumaran-7-carbonyl)amino]propionic acid methyl ester Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=C(C=CC=C12)C(=O)NC(CC(=O)OC)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1C(OC2=C(C=CC=C12)C(=O)NC(CC(=O)OC)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H22ClNO4/c1-12-13(2)27-20-16(12)5-4-6-17(20)21(25)23-18(11-19(24)26-3)14-7-9-15(22)10-8-14/h4-10,12-13,18H,11H2,1-3H3,(H,23,25)