(E)-3-[2-(azepan-1-yl)-6-chloranyl-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(azepan-1-yl)-6-chloranyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(azepan-1-yl)-6-chloro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(1-azepanyl)-6-chlorophenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(azepan-1-yl)-6-chlorophenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(azepan-1-yl)-6-chloro-phenyl]acrylic acid Formula: C15H18ClNO2 MolecularWeight: 279.76192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=CC=C2)Cl)/C=C/C(=O)O

InChI

InChI=1S/C15H18ClNO2/c16-13-6-5-7-14(12(13)8-9-15(18)19)17-10-3-1-2-4-11-17/h5-9H,1-4,10-11H2,(H,18,19)/b9-8+