(2-benzamido-2-oxidanylidene-ethyl) (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate Openeye Name: (2-benzamido-2-oxo-ethyl) (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-2-propenoic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]acrylic acid (2-benzamido-2-keto-ethyl) ester Formula: C24H26N2O4 MolecularWeight: 406.47424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C=CC(=O)OCC(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)/C=C/C(=O)OCC(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H26N2O4/c27-22(25-24(29)20-8-4-3-5-9-20)18-30-23(28)15-12-19-10-13-21(14-11-19)26-16-6-1-2-7-17-26/h3-5,8-15H,1-2,6-7,16-18H2,(H,25,27,29)/b15-12+