2-[3-(azepan-1-ylmethyl)-4-chloranyl-phenoxy]ethanoic acid

Systemtic Name: 2-[3-(azepan-1-ylmethyl)-4-chloranyl-phenoxy]ethanoic acid Openeye Name: 2-[3-(azepan-1-ylmethyl)-4-chloro-phenoxy]acetic acid CAS Name: 2-[3-(1-azepanylmethyl)-4-chlorophenoxy]acetic acid IUPAC Name: 2-[3-(azepan-1-ylmethyl)-4-chlorophenoxy]acetic acid Traditional Name: 2-[3-(azepan-1-ylmethyl)-4-chloro-phenoxy]acetic acid Formula: C15H20ClNO3 MolecularWeight: 297.7772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(C=CC(=C2)OCC(=O)O)Cl

Isomeric SMILES

C1CCCN(CC1)CC2=C(C=CC(=C2)OCC(=O)O)Cl

InChI

InChI=1S/C15H20ClNO3/c16-14-6-5-13(20-11-15(18)19)9-12(14)10-17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10-11H2,(H,18,19)