(E)-3-[3-(azepan-1-ylmethyl)-4-methoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-(azepan-1-ylmethyl)-4-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(azepan-1-ylmethyl)-4-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-(1-azepanylmethyl)-4-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(azepan-1-ylmethyl)-4-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(azepan-1-ylmethyl)-4-methoxy-phenyl]acrylic acid Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)O)CN2CCCCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)O)CN2CCCCCC2

InChI

InChI=1S/C17H23NO3/c1-21-16-8-6-14(7-9-17(19)20)12-15(16)13-18-10-4-2-3-5-11-18/h6-9,12H,2-5,10-11,13H2,1H3,(H,19,20)/b9-7+