3-(4-chlorophenyl)-7-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxidanylidene-ethoxy]chromen-2-one

Systemtic Name: 3-(4-chlorophenyl)-7-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxidanylidene-ethoxy]chromen-2-one Openeye Name: 3-(4-chlorophenyl)-7-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-ethoxy]chromen-2-one CAS Name: 3-(4-chlorophenyl)-7-[2-[2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethoxy]-1-benzopyran-2-one IUPAC Name: 3-(4-chlorophenyl)-7-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethoxy]chromen-2-one Traditional Name: 3-(4-chlorophenyl)-7-[2-keto-2-(2-methylolpyrrolidino)ethoxy]coumarin Formula: C22H20ClNO5 MolecularWeight: 413.8509

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)COC2=CC3=C(C=C2)C=C(C(=O)O3)C4=CC=C(C=C4)Cl)CO

Isomeric SMILES

C1CC(N(C1)C(=O)COC2=CC3=C(C=C2)C=C(C(=O)O3)C4=CC=C(C=C4)Cl)CO

InChI

InChI=1S/C22H20ClNO5/c23-16-6-3-14(4-7-16)19-10-15-5-8-18(11-20(15)29-22(19)27)28-13-21(26)24-9-1-2-17(24)12-25/h3-8,10-11,17,25H,1-2,9,12-13H2