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

Systemtic Name: 6-[methyl-[4-(2-methylphenoxy)but-2-ynyl]amino]chromen-2-one Openeye Name: 6-[methyl-[4-(2-methylphenoxy)but-2-ynyl]amino]chromen-2-one CAS Name: 6-[methyl-[4-(2-methylphenoxy)but-2-ynyl]amino]-1-benzopyran-2-one IUPAC Name: 6-[methyl-[4-(2-methylphenoxy)but-2-ynyl]amino]chromen-2-one Traditional Name: 6-[methyl-[4-(2-methylphenoxy)but-2-ynyl]amino]coumarin Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC#CCN(C)C2=CC3=C(C=C2)OC(=O)C=C3

Isomeric SMILES

CC1=CC=CC=C1OCC#CCN(C)C2=CC3=C(C=C2)OC(=O)C=C3

InChI

InChI=1S/C21H19NO3/c1-16-7-3-4-8-19(16)24-14-6-5-13-22(2)18-10-11-20-17(15-18)9-12-21(23)25-20/h3-4,7-12,15H,13-14H2,1-2H3