[2-[(4-ethoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 5-chloranyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(4-ethoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [2-[(4-ethoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [2-[(4-ethoxybenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H20ClNO5 MolecularWeight: 401.8402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=CC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=CC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C21H20ClNO5/c1-3-26-17-7-4-14(5-8-17)12-23(2)20(24)13-27-21(25)19-11-15-10-16(22)6-9-18(15)28-19/h4-11H,3,12-13H2,1-2H3