ethyl 5-[4-[2-(4-imidazol-1-ylbutanoylamino)ethyl]phenoxy]-2,2-dimethyl-pentanoate

Systemtic Name: ethyl 5-[4-[2-(4-imidazol-1-ylbutanoylamino)ethyl]phenoxy]-2,2-dimethyl-pentanoate Openeye Name: ethyl 5-[4-[2-(4-imidazol-1-ylbutanoylamino)ethyl]phenoxy]-2,2-dimethyl-pentanoate CAS Name: 5-[4-[2-[[4-(1-imidazolyl)-1-oxobutyl]amino]ethyl]phenoxy]-2,2-dimethylpentanoic acid ethyl ester IUPAC Name: ethyl 5-[4-[2-(4-imidazol-1-ylbutanoylamino)ethyl]phenoxy]-2,2-dimethylpentanoate Traditional Name: 5-[4-[2-(4-imidazol-1-ylbutanoylamino)ethyl]phenoxy]-2,2-dimethyl-valeric acid ethyl ester Formula: C24H35N3O4 MolecularWeight: 429.5524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCOC1=CC=C(C=C1)CCNC(=O)CCCN2C=CN=C2

Isomeric SMILES

CCOC(=O)C(C)(C)CCCOC1=CC=C(C=C1)CCNC(=O)CCCN2C=CN=C2

InChI

InChI=1S/C24H35N3O4/c1-4-30-23(29)24(2,3)13-6-18-31-21-10-8-20(9-11-21)12-14-26-22(28)7-5-16-27-17-15-25-19-27/h8-11,15,17,19H,4-7,12-14,16,18H2,1-3H3,(H,26,28)