(E)-3-[4-(azepan-1-yl)phenyl]-2-cyano-prop-2-enoic acid

Systemtic Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-cyano-prop-2-enoic acid Openeye Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-cyano-prop-2-enoic acid CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-2-cyano-2-propenoic acid IUPAC Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-cyanoprop-2-enoic acid Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]-2-cyano-acrylic acid Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C=C(C#N)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C16H18N2O2/c17-12-14(16(19)20)11-13-5-7-15(8-6-13)18-9-3-1-2-4-10-18/h5-8,11H,1-4,9-10H2,(H,19,20)/b14-11+