phenyl 2-[2-[4-(2-methylpropyl)phenyl]ethylamino]octanoate

Systemtic Name: phenyl 2-[2-[4-(2-methylpropyl)phenyl]ethylamino]octanoate Openeye Name: phenyl 2-[2-(4-isobutylphenyl)ethylamino]octanoate CAS Name: 2-[2-[4-(2-methylpropyl)phenyl]ethylamino]octanoic acid phenyl ester IUPAC Name: phenyl 2-[2-[4-(2-methylpropyl)phenyl]ethylamino]octanoate Traditional Name: 2-[2-(4-isobutylphenyl)ethylamino]caprylic acid phenyl ester Formula: C26H37NO2 MolecularWeight: 395.57748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OC1=CC=CC=C1)NCCC2=CC=C(C=C2)CC(C)C

Isomeric SMILES

CCCCCCC(C(=O)OC1=CC=CC=C1)NCCC2=CC=C(C=C2)CC(C)C

InChI

InChI=1S/C26H37NO2/c1-4-5-6-10-13-25(26(28)29-24-11-8-7-9-12-24)27-19-18-22-14-16-23(17-15-22)20-21(2)3/h7-9,11-12,14-17,21,25,27H,4-6,10,13,18-20H2,1-3H3