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

Systemtic Name: [4-(1,3-dimethylazepan-4-yl)oxyphenyl] heptanoate Openeye Name: [4-(1,3-dimethylazepan-4-yl)oxyphenyl] heptanoate CAS Name: heptanoic acid [4-[(1,3-dimethyl-4-azepanyl)oxy]phenyl] ester IUPAC Name: [4-(1,3-dimethylazepan-4-yl)oxyphenyl] heptanoate Traditional Name: enanthic acid [4-(1,3-dimethylazepan-4-yl)oxyphenyl] ester Formula: C21H33NO3 MolecularWeight: 347.49162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO3/c1-4-5-6-7-10-21(23)25-19-13-11-18(12-14-19)24-20-9-8-15-22(3)16-17(20)2/h11-14,17,20H,4-10,15-16H2,1-3H3