[5-chloranyl-2-(1,3-dimethylazepan-4-yl)oxy-phenyl] decanoate

Systemtic Name: [5-chloranyl-2-(1,3-dimethylazepan-4-yl)oxy-phenyl] decanoate Openeye Name: [5-chloro-2-(1,3-dimethylazepan-4-yl)oxy-phenyl] decanoate CAS Name: decanoic acid [5-chloro-2-[(1,3-dimethyl-4-azepanyl)oxy]phenyl] ester IUPAC Name: [5-chloro-2-(1,3-dimethylazepan-4-yl)oxyphenyl] decanoate Traditional Name: capric acid [5-chloro-2-(1,3-dimethylazepan-4-yl)oxy-phenyl] ester Formula: C24H38ClNO3 MolecularWeight: 424.01642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1=C(C=CC(=C1)Cl)OC2CCCN(CC2C)C

Isomeric SMILES

CCCCCCCCCC(=O)OC1=C(C=CC(=C1)Cl)OC2CCCN(CC2C)C

InChI

InChI=1S/C24H38ClNO3/c1-4-5-6-7-8-9-10-13-24(27)29-23-17-20(25)14-15-22(23)28-21-12-11-16-26(3)18-19(21)2/h14-15,17,19,21H,4-13,16,18H2,1-3H3