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

Systemtic Name: methyl 3-[(2R)-7-chloranyl-2-[(3-methoxypropanoylamino)methyl]-2,3-dihydro-1-benzofuran-5-yl]benzoate Openeye Name: methyl 3-[(2R)-7-chloro-2-[(3-methoxypropanoylamino)methyl]-2,3-dihydrobenzofuran-5-yl]benzoate CAS Name: 3-[(2R)-7-chloro-2-[[(3-methoxy-1-oxopropyl)amino]methyl]-2,3-dihydrobenzofuran-5-yl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2R)-7-chloro-2-[(3-methoxypropanoylamino)methyl]-2,3-dihydro-1-benzofuran-5-yl]benzoate Traditional Name: 3-[(2R)-7-chloro-2-[(3-methoxypropanoylamino)methyl]coumaran-5-yl]benzoic acid methyl ester Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COCCC(=O)NC[C@H]1CC2=C(O1)C(=CC(=C2)C3=CC(=CC=C3)C(=O)OC)Cl

InChI

InChI=1S/C21H22ClNO5/c1-26-7-6-19(24)23-12-17-10-16-9-15(11-18(22)20(16)28-17)13-4-3-5-14(8-13)21(25)27-2/h3-5,8-9,11,17H,6-7,10,12H2,1-2H3,(H,23,24)/t17-/m1/s1