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

Systemtic Name: [4-(1,3-dimethylazepan-4-yl)oxyphenyl] pentanoate Openeye Name: [4-(1,3-dimethylazepan-4-yl)oxyphenyl] pentanoate CAS Name: pentanoic acid [4-[(1,3-dimethyl-4-azepanyl)oxy]phenyl] ester IUPAC Name: [4-(1,3-dimethylazepan-4-yl)oxyphenyl] pentanoate Traditional Name: valeric acid [4-(1,3-dimethylazepan-4-yl)oxyphenyl] ester Formula: C19H29NO3 MolecularWeight: 319.43846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO3/c1-4-5-8-19(21)23-17-11-9-16(10-12-17)22-18-7-6-13-20(3)14-15(18)2/h9-12,15,18H,4-8,13-14H2,1-3H3