ethyl 7-[4-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethyl-heptanoate

Systemtic Name: ethyl 7-[4-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethyl-heptanoate Openeye Name: ethyl 7-[4-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethyl-heptanoate CAS Name: 7-[4-[5-(1-imidazolyl)pentoxy]phenoxy]-2,2-dimethylheptanoic acid ethyl ester IUPAC Name: ethyl 7-[4-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethylheptanoate Traditional Name: 7-[4-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethyl-enanthic acid ethyl ester Formula: C25H38N2O4 MolecularWeight: 430.58022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCCCOC1=CC=C(C=C1)OCCCCCN2C=CN=C2

Isomeric SMILES

CCOC(=O)C(C)(C)CCCCCOC1=CC=C(C=C1)OCCCCCN2C=CN=C2

InChI

InChI=1S/C25H38N2O4/c1-4-29-24(28)25(2,3)15-7-5-9-19-30-22-11-13-23(14-12-22)31-20-10-6-8-17-27-18-16-26-21-27/h11-14,16,18,21H,4-10,15,17,19-20H2,1-3H3