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

Systemtic Name: [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxo-ethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [2-[cyclopropyl(p-anisyl)amino]-2-keto-ethyl] ester Formula: C22H20ClNO5 MolecularWeight: 413.8509

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(C2CC2)C(=O)COC(=O)C3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CN(C2CC2)C(=O)COC(=O)C3=CC4=C(O3)C=CC(=C4)Cl

InChI

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