ethyl 5-[4-[4-imidazol-1-ylbutyl(methyl)amino]phenoxy]-2,2-dimethyl-pentanoate

Systemtic Name: ethyl 5-[4-[4-imidazol-1-ylbutyl(methyl)amino]phenoxy]-2,2-dimethyl-pentanoate Openeye Name: ethyl 5-[4-[4-imidazol-1-ylbutyl(methyl)amino]phenoxy]-2,2-dimethyl-pentanoate CAS Name: 5-[4-[4-(1-imidazolyl)butyl-methylamino]phenoxy]-2,2-dimethylpentanoic acid ethyl ester IUPAC Name: ethyl 5-[4-[4-imidazol-1-ylbutyl(methyl)amino]phenoxy]-2,2-dimethylpentanoate Traditional Name: 5-[4-[4-imidazol-1-ylbutyl(methyl)amino]phenoxy]-2,2-dimethyl-valeric acid ethyl ester Formula: C23H35N3O3 MolecularWeight: 401.5423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCOC1=CC=C(C=C1)N(C)CCCCN2C=CN=C2

Isomeric SMILES

CCOC(=O)C(C)(C)CCCOC1=CC=C(C=C1)N(C)CCCCN2C=CN=C2

InChI

InChI=1S/C23H35N3O3/c1-5-28-22(27)23(2,3)13-8-18-29-21-11-9-20(10-12-21)25(4)15-6-7-16-26-17-14-24-19-26/h9-12,14,17,19H,5-8,13,15-16,18H2,1-4H3