[[4-(1-oxidanylhexyl)phenyl]methylamino] octanoate

Systemtic Name: [[4-(1-oxidanylhexyl)phenyl]methylamino] octanoate Openeye Name: [[4-(1-hydroxyhexyl)phenyl]methylamino] octanoate CAS Name: octanoic acid [[4-(1-hydroxyhexyl)phenyl]methylamino] ester IUPAC Name: [[4-(1-hydroxyhexyl)phenyl]methylamino] octanoate Traditional Name: caprylic acid [[4-(1-hydroxyhexyl)benzyl]amino] ester Formula: C21H35NO3 MolecularWeight: 349.5075

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)ONCC1=CC=C(C=C1)C(CCCCC)O

Isomeric SMILES

CCCCCCCC(=O)ONCC1=CC=C(C=C1)C(CCCCC)O

InChI

InChI=1S/C21H35NO3/c1-3-5-7-8-10-12-21(24)25-22-17-18-13-15-19(16-14-18)20(23)11-9-6-4-2/h13-16,20,22-23H,3-12,17H2,1-2H3