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

Systemtic Name: ethyl 6-[4-(4-imidazol-1-ylbutanoylamino)phenoxy]-2,2-dimethyl-hexanoate Openeye Name: ethyl 6-[4-(4-imidazol-1-ylbutanoylamino)phenoxy]-2,2-dimethyl-hexanoate CAS Name: 6-[4-[[4-(1-imidazolyl)-1-oxobutyl]amino]phenoxy]-2,2-dimethylhexanoic acid ethyl ester IUPAC Name: ethyl 6-[4-(4-imidazol-1-ylbutanoylamino)phenoxy]-2,2-dimethylhexanoate Traditional Name: 6-[4-(4-imidazol-1-ylbutanoylamino)phenoxy]-2,2-dimethyl-hexanoic acid ethyl ester Formula: C23H33N3O4 MolecularWeight: 415.52582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCCOC1=CC=C(C=C1)NC(=O)CCCN2C=CN=C2

Isomeric SMILES

CCOC(=O)C(C)(C)CCCCOC1=CC=C(C=C1)NC(=O)CCCN2C=CN=C2

InChI

InChI=1S/C23H33N3O4/c1-4-29-22(28)23(2,3)13-5-6-17-30-20-11-9-19(10-12-20)25-21(27)8-7-15-26-16-14-24-18-26/h9-12,14,16,18H,4-8,13,15,17H2,1-3H3,(H,25,27)