7-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethoxy]chromen-2-one

Systemtic Name: 7-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethoxy]chromen-2-one Openeye Name: 7-[2-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethoxy]chromen-2-one CAS Name: 7-[2-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-oxoethoxy]-1-benzopyran-2-one IUPAC Name: 7-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethoxy]chromen-2-one Traditional Name: 7-[2-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethoxy]coumarin Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C(=O)COC2=CC3=C(C=C2)C=CC(=O)O3

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C(=O)COC2=CC3=C(C=C2)C=CC(=O)O3

InChI

InChI=1S/C22H25NO4/c1-14(2)9-10-23-15(3)11-19(16(23)4)20(24)13-26-18-7-5-17-6-8-22(25)27-21(17)12-18/h5-8,11-12,14H,9-10,13H2,1-4H3