[4-(1,3-dimethylazepan-4-yl)oxyphenyl] hexanoate

Systemtic Name: [4-(1,3-dimethylazepan-4-yl)oxyphenyl] hexanoate Openeye Name: [4-(1,3-dimethylazepan-4-yl)oxyphenyl] hexanoate CAS Name: hexanoic acid [4-[(1,3-dimethyl-4-azepanyl)oxy]phenyl] ester IUPAC Name: [4-(1,3-dimethylazepan-4-yl)oxyphenyl] hexanoate Traditional Name: hexanoic acid [4-(1,3-dimethylazepan-4-yl)oxyphenyl] ester Formula: C20H31NO3 MolecularWeight: 333.46504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=CC=C(C=C1)OC2CCCN(CC2C)C

Isomeric SMILES

CCCCCC(=O)OC1=CC=C(C=C1)OC2CCCN(CC2C)C

InChI

InChI=1S/C20H31NO3/c1-4-5-6-9-20(22)24-18-12-10-17(11-13-18)23-19-8-7-14-21(3)15-16(19)2/h10-13,16,19H,4-9,14-15H2,1-3H3