[5-chloranyl-2-(3-methylazepan-4-yl)oxy-phenyl] decanoate

Systemtic Name: [5-chloranyl-2-(3-methylazepan-4-yl)oxy-phenyl] decanoate Openeye Name: [5-chloro-2-(3-methylazepan-4-yl)oxy-phenyl] decanoate CAS Name: decanoic acid [5-chloro-2-[(3-methyl-4-azepanyl)oxy]phenyl] ester IUPAC Name: [5-chloro-2-(3-methylazepan-4-yl)oxyphenyl] decanoate Traditional Name: capric acid [5-chloro-2-(3-methylazepan-4-yl)oxy-phenyl] ester Formula: C23H36ClNO3 MolecularWeight: 409.98984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1=C(C=CC(=C1)Cl)OC2CCCNCC2C

Isomeric SMILES

CCCCCCCCCC(=O)OC1=C(C=CC(=C1)Cl)OC2CCCNCC2C

InChI

InChI=1S/C23H36ClNO3/c1-3-4-5-6-7-8-9-12-23(26)28-22-16-19(24)13-14-21(22)27-20-11-10-15-25-17-18(20)2/h13-14,16,18,20,25H,3-12,15,17H2,1-2H3