4-[1-(azepan-3-yl)propyl]benzoic acid

Systemtic Name: 4-[1-(azepan-3-yl)propyl]benzoic acid Openeye Name: 4-[1-(azepan-3-yl)propyl]benzoic acid CAS Name: 4-[1-(3-azepanyl)propyl]benzoic acid IUPAC Name: 4-[1-(azepan-3-yl)propyl]benzoic acid Traditional Name: 4-[1-(azepan-3-yl)propyl]benzoic acid Formula: C16H23NO2 MolecularWeight: 261.35932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCCNC1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCC(C1CCCCNC1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H23NO2/c1-2-15(14-5-3-4-10-17-11-14)12-6-8-13(9-7-12)16(18)19/h6-9,14-15,17H,2-5,10-11H2,1H3,(H,18,19)