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

Systemtic Name: ethyl 6-[4-(6-imidazol-1-ylhexanoylamino)phenoxy]-2,2-dimethyl-hexanoate Openeye Name: ethyl 6-[4-(6-imidazol-1-ylhexanoylamino)phenoxy]-2,2-dimethyl-hexanoate CAS Name: 6-[4-[[6-(1-imidazolyl)-1-oxohexyl]amino]phenoxy]-2,2-dimethylhexanoic acid ethyl ester IUPAC Name: ethyl 6-[4-(6-imidazol-1-ylhexanoylamino)phenoxy]-2,2-dimethylhexanoate Traditional Name: 6-[4-(6-imidazol-1-ylhexanoylamino)phenoxy]-2,2-dimethyl-hexanoic acid ethyl ester Formula: C25H37N3O4 MolecularWeight: 443.57898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCCOC1=CC=C(C=C1)NC(=O)CCCCCN2C=CN=C2

Isomeric SMILES

CCOC(=O)C(C)(C)CCCCOC1=CC=C(C=C1)NC(=O)CCCCCN2C=CN=C2

InChI

InChI=1S/C25H37N3O4/c1-4-31-24(30)25(2,3)15-7-9-19-32-22-13-11-21(12-14-22)27-23(29)10-6-5-8-17-28-18-16-26-20-28/h11-14,16,18,20H,4-10,15,17,19H2,1-3H3,(H,27,29)