4-butyl-5-[2-(1,2-dimethylindol-3-yl)-2-oxidanylidene-ethoxy]-7-methyl-chromen-2-one

Systemtic Name: 4-butyl-5-[2-(1,2-dimethylindol-3-yl)-2-oxidanylidene-ethoxy]-7-methyl-chromen-2-one Openeye Name: 4-butyl-5-[2-(1,2-dimethylindol-3-yl)-2-oxo-ethoxy]-7-methyl-chromen-2-one CAS Name: 4-butyl-5-[2-(1,2-dimethyl-3-indolyl)-2-oxoethoxy]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-butyl-5-[2-(1,2-dimethylindol-3-yl)-2-oxoethoxy]-7-methylchromen-2-one Traditional Name: 4-butyl-5-[2-(1,2-dimethylindol-3-yl)-2-keto-ethoxy]-7-methyl-coumarin Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)C3=C(N(C4=CC=CC=C43)C)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)C3=C(N(C4=CC=CC=C43)C)C

InChI

InChI=1S/C26H27NO4/c1-5-6-9-18-14-24(29)31-23-13-16(2)12-22(26(18)23)30-15-21(28)25-17(3)27(4)20-11-8-7-10-19(20)25/h7-8,10-14H,5-6,9,15H2,1-4H3