ethyl 2,2-dimethyl-6-[4-(5-pyrazol-1-ylpentoxy)phenoxy]hexanoate

Systemtic Name: ethyl 2,2-dimethyl-6-[4-(5-pyrazol-1-ylpentoxy)phenoxy]hexanoate Openeye Name: ethyl 2,2-dimethyl-6-[4-(5-pyrazol-1-ylpentoxy)phenoxy]hexanoate CAS Name: 2,2-dimethyl-6-[4-[5-(1-pyrazolyl)pentoxy]phenoxy]hexanoic acid ethyl ester IUPAC Name: ethyl 2,2-dimethyl-6-[4-(5-pyrazol-1-ylpentoxy)phenoxy]hexanoate Traditional Name: 2,2-dimethyl-6-[4-(5-pyrazol-1-ylpentoxy)phenoxy]hexanoic acid ethyl ester Formula: C24H36N2O4 MolecularWeight: 416.55364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCCOC1=CC=C(C=C1)OCCCCCN2C=CC=N2

Isomeric SMILES

CCOC(=O)C(C)(C)CCCCOC1=CC=C(C=C1)OCCCCCN2C=CC=N2

InChI

InChI=1S/C24H36N2O4/c1-4-28-23(27)24(2,3)15-6-9-20-30-22-13-11-21(12-14-22)29-19-8-5-7-17-26-18-10-16-25-26/h10-14,16,18H,4-9,15,17,19-20H2,1-3H3