4-methyl-7-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]carbonylphenyl]methoxy]chromen-2-one

Systemtic Name: 4-methyl-7-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]carbonylphenyl]methoxy]chromen-2-one Openeye Name: 4-methyl-7-[[4-[4-(3-methylbutanoyl)piperazine-1-carbonyl]phenyl]methoxy]chromen-2-one CAS Name: 4-methyl-7-[[4-[[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-oxomethyl]phenyl]methoxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-7-[[4-[4-(3-methylbutanoyl)piperazine-1-carbonyl]phenyl]methoxy]chromen-2-one Traditional Name: 7-[4-(4-isovalerylpiperazine-1-carbonyl)benzyl]oxy-4-methyl-coumarin Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)N4CCN(CC4)C(=O)CC(C)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)N4CCN(CC4)C(=O)CC(C)C

InChI

InChI=1S/C27H30N2O5/c1-18(2)14-25(30)28-10-12-29(13-11-28)27(32)21-6-4-20(5-7-21)17-33-22-8-9-23-19(3)15-26(31)34-24(23)16-22/h4-9,15-16,18H,10-14,17H2,1-3H3