ethyl 7-[4-(6-imidazol-1-ylhexanoylamino)phenoxy]-2,2-dimethyl-heptanoate

Systemtic Name: ethyl 7-[4-(6-imidazol-1-ylhexanoylamino)phenoxy]-2,2-dimethyl-heptanoate Openeye Name: ethyl 7-[4-(6-imidazol-1-ylhexanoylamino)phenoxy]-2,2-dimethyl-heptanoate CAS Name: 7-[4-[[6-(1-imidazolyl)-1-oxohexyl]amino]phenoxy]-2,2-dimethylheptanoic acid ethyl ester IUPAC Name: ethyl 7-[4-(6-imidazol-1-ylhexanoylamino)phenoxy]-2,2-dimethylheptanoate Traditional Name: 7-[4-(6-imidazol-1-ylhexanoylamino)phenoxy]-2,2-dimethyl-enanthic acid ethyl ester Formula: C26H39N3O4 MolecularWeight: 457.60556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCCCOC1=CC=C(C=C1)NC(=O)CCCCCN2C=CN=C2

Isomeric SMILES

CCOC(=O)C(C)(C)CCCCCOC1=CC=C(C=C1)NC(=O)CCCCCN2C=CN=C2

InChI

InChI=1S/C26H39N3O4/c1-4-32-25(31)26(2,3)16-8-6-10-20-33-23-14-12-22(13-15-23)28-24(30)11-7-5-9-18-29-19-17-27-21-29/h12-15,17,19,21H,4-11,16,18,20H2,1-3H3,(H,28,30)