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

Systemtic Name: (E)-3-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]acrylic acid Formula: C15H20N2O2 MolecularWeight: 260.3315

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O2/c1-16-9-2-10-17(12-11-16)14-6-3-13(4-7-14)5-8-15(18)19/h3-8H,2,9-12H2,1H3,(H,18,19)/b8-5+