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

Systemtic Name: 6-[4-(4-methoxyphenoxy)but-2-ynyl-methyl-amino]chromen-2-one Openeye Name: 6-[4-(4-methoxyphenoxy)but-2-ynyl-methyl-amino]chromen-2-one CAS Name: 6-[4-(4-methoxyphenoxy)but-2-ynyl-methylamino]-1-benzopyran-2-one IUPAC Name: 6-[4-(4-methoxyphenoxy)but-2-ynyl-methylamino]chromen-2-one Traditional Name: 6-[4-(4-methoxyphenoxy)but-2-ynyl-methyl-amino]coumarin Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC#CCOC1=CC=C(C=C1)OC)C2=CC3=C(C=C2)OC(=O)C=C3

Isomeric SMILES

CN(CC#CCOC1=CC=C(C=C1)OC)C2=CC3=C(C=C2)OC(=O)C=C3

InChI

InChI=1S/C21H19NO4/c1-22(17-6-11-20-16(15-17)5-12-21(23)26-20)13-3-4-14-25-19-9-7-18(24-2)8-10-19/h5-12,15H,13-14H2,1-2H3