[4-(3-methylazepan-4-yl)oxyphenyl] pentanoate

Systemtic Name: [4-(3-methylazepan-4-yl)oxyphenyl] pentanoate Openeye Name: [4-(3-methylazepan-4-yl)oxyphenyl] pentanoate CAS Name: pentanoic acid [4-[(3-methyl-4-azepanyl)oxy]phenyl] ester IUPAC Name: [4-(3-methylazepan-4-yl)oxyphenyl] pentanoate Traditional Name: valeric acid [4-(3-methylazepan-4-yl)oxyphenyl] ester Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=CC=C(C=C1)OC2CCCNCC2C

Isomeric SMILES

CCCCC(=O)OC1=CC=C(C=C1)OC2CCCNCC2C

InChI

InChI=1S/C18H27NO3/c1-3-4-7-18(20)22-16-10-8-15(9-11-16)21-17-6-5-12-19-13-14(17)2/h8-11,14,17,19H,3-7,12-13H2,1-2H3