6-[4-(2-chloranylphenoxy)but-2-ynyl-methyl-amino]chromen-2-one

Systemtic Name: 6-[4-(2-chloranylphenoxy)but-2-ynyl-methyl-amino]chromen-2-one Openeye Name: 6-[4-(2-chlorophenoxy)but-2-ynyl-methyl-amino]chromen-2-one CAS Name: 6-[4-(2-chlorophenoxy)but-2-ynyl-methylamino]-1-benzopyran-2-one IUPAC Name: 6-[4-(2-chlorophenoxy)but-2-ynyl-methylamino]chromen-2-one Traditional Name: 6-[4-(2-chlorophenoxy)but-2-ynyl-methyl-amino]coumarin Formula: C20H16ClNO3 MolecularWeight: 353.79894

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC#CCOC1=CC=CC=C1Cl)C2=CC3=C(C=C2)OC(=O)C=C3

Isomeric SMILES

CN(CC#CCOC1=CC=CC=C1Cl)C2=CC3=C(C=C2)OC(=O)C=C3

InChI

InChI=1S/C20H16ClNO3/c1-22(12-4-5-13-24-19-7-3-2-6-17(19)21)16-9-10-18-15(14-16)8-11-20(23)25-18/h2-3,6-11,14H,12-13H2,1H3