3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-7-(2-methylprop-2-enoxy)chromen-2-one

Systemtic Name: 3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-7-(2-methylprop-2-enoxy)chromen-2-one Openeye Name: 3-[2-[4-(1H-benzimidazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-4-methyl-7-(2-methylallyloxy)chromen-2-one CAS Name: 3-[2-[4-(1H-benzimidazol-2-yl)-1-piperidinyl]-2-oxoethyl]-4-methyl-7-(2-methylprop-2-enoxy)-1-benzopyran-2-one IUPAC Name: 3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-7-(2-methylprop-2-enoxy)chromen-2-one Traditional Name: 3-[2-[4-(1H-benzimidazol-2-yl)piperidino]-2-keto-ethyl]-4-methyl-7-(2-methylallyloxy)coumarin Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=C)C)CC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=C)C)CC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C28H29N3O4/c1-17(2)16-34-20-8-9-21-18(3)22(28(33)35-25(21)14-20)15-26(32)31-12-10-19(11-13-31)27-29-23-6-4-5-7-24(23)30-27/h4-9,14,19H,1,10-13,15-16H2,2-3H3,(H,29,30)