methyl 3-[2-[(butanoylamino)methyl]-7-chloranyl-2,3-dihydro-1-benzofuran-5-yl]benzoate

Systemtic Name: methyl 3-[2-[(butanoylamino)methyl]-7-chloranyl-2,3-dihydro-1-benzofuran-5-yl]benzoate Openeye Name: methyl 3-[2-[(butanoylamino)methyl]-7-chloro-2,3-dihydrobenzofuran-5-yl]benzoate CAS Name: 3-[7-chloro-2-[(1-oxobutylamino)methyl]-2,3-dihydrobenzofuran-5-yl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[(butanoylamino)methyl]-7-chloro-2,3-dihydro-1-benzofuran-5-yl]benzoate Traditional Name: 3-[2-(butyramidomethyl)-7-chloro-coumaran-5-yl]benzoic acid methyl ester Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCC1CC2=C(O1)C(=CC(=C2)C3=CC(=CC=C3)C(=O)OC)Cl

Isomeric SMILES

CCCC(=O)NCC1CC2=C(O1)C(=CC(=C2)C3=CC(=CC=C3)C(=O)OC)Cl

InChI

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