5-[2-[2-azanylidene-3-(3-ethylpentyl)imidazol-1-yl]ethanoyl]-4-butyl-3,3-dimethyl-1-benzofuran-2-one

Systemtic Name: 5-[2-[2-azanylidene-3-(3-ethylpentyl)imidazol-1-yl]ethanoyl]-4-butyl-3,3-dimethyl-1-benzofuran-2-one Openeye Name: 4-butyl-5-[2-[3-(3-ethylpentyl)-2-imino-imidazol-1-yl]acetyl]-3,3-dimethyl-benzofuran-2-one CAS Name: 4-butyl-5-[2-[3-(3-ethylpentyl)-2-imino-1-imidazolyl]-1-oxoethyl]-3,3-dimethyl-2-benzofuranone IUPAC Name: 4-butyl-5-[2-[3-(3-ethylpentyl)-2-iminoimidazol-1-yl]acetyl]-3,3-dimethyl-1-benzofuran-2-one Traditional Name: 4-butyl-5-[2-[3-(3-ethylpentyl)-2-imino-4-imidazolin-1-yl]acetyl]-3,3-dimethyl-coumaran-2-one Formula: C26H37N3O3 MolecularWeight: 439.59028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC2=C1C(C(=O)O2)(C)C)C(=O)CN3C=CN(C3=N)CCC(CC)CC

Isomeric SMILES

CCCCC1=C(C=CC2=C1C(C(=O)O2)(C)C)C(=O)CN3C=CN(C3=N)CCC(CC)CC

InChI

InChI=1S/C26H37N3O3/c1-6-9-10-20-19(11-12-22-23(20)26(4,5)24(31)32-22)21(30)17-29-16-15-28(25(29)27)14-13-18(7-2)8-3/h11-12,15-16,18,27H,6-10,13-14,17H2,1-5H3