2-(pyridin-4-ylcarbonylamino)ethyl 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoate

Systemtic Name: 2-(pyridin-4-ylcarbonylamino)ethyl 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoate Openeye Name: 2-(pyridine-4-carbonylamino)ethyl 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoate CAS Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoic acid 2-[[oxo(pyridin-4-yl)methyl]amino]ethyl ester IUPAC Name: 2-(pyridine-4-carbonylamino)ethyl 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoate Traditional Name: 4-(2,4-ditert-amylphenoxy)butyric acid 2-isonicotinamidoethyl ester Formula: C28H40N2O4 MolecularWeight: 468.6282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)OCCNC(=O)C2=CC=NC=C2)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)OCCNC(=O)C2=CC=NC=C2)C(C)(C)CC

InChI

InChI=1S/C28H40N2O4/c1-7-27(3,4)22-11-12-24(23(20-22)28(5,6)8-2)33-18-9-10-25(31)34-19-17-30-26(32)21-13-15-29-16-14-21/h11-16,20H,7-10,17-19H2,1-6H3,(H,30,32)