(E)-3-[2-chloranyl-6-(4-methyl-1,4-diazepan-1-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-chloranyl-6-(4-methyl-1,4-diazepan-1-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-chloro-6-(4-methyl-1,4-diazepan-1-yl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-chloro-6-(4-methyl-1,4-diazepan-1-yl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-chloro-6-(4-methyl-1,4-diazepan-1-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-chloro-6-(4-methyl-1,4-diazepan-1-yl)phenyl]acrylic acid Formula: C15H19ClN2O2 MolecularWeight: 294.77656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=C(C(=CC=C2)Cl)C=CC(=O)O

Isomeric SMILES

CN1CCCN(CC1)C2=C(C(=CC=C2)Cl)/C=C/C(=O)O

InChI

InChI=1S/C15H19ClN2O2/c1-17-8-3-9-18(11-10-17)14-5-2-4-13(16)12(14)6-7-15(19)20/h2,4-7H,3,8-11H2,1H3,(H,19,20)/b7-6+