[2-[(E)-3-phenylprop-2-enoyl]phenyl] 3-(1-carbamimidoylpiperidin-4-yl)propanoate

Systemtic Name: [2-[(E)-3-phenylprop-2-enoyl]phenyl] 3-(1-carbamimidoylpiperidin-4-yl)propanoate Openeye Name: [2-[(E)-3-phenylprop-2-enoyl]phenyl] 3-(1-carbamimidoyl-4-piperidyl)propanoate CAS Name: 3-(1-carbamimidoyl-4-piperidinyl)propanoic acid [2-[(E)-1-oxo-3-phenylprop-2-enyl]phenyl] ester IUPAC Name: [2-[(E)-3-phenylprop-2-enoyl]phenyl] 3-(1-carbamimidoylpiperidin-4-yl)propanoate Traditional Name: 3-(1-amidino-4-piperidyl)propionic acid [2-[(E)-3-phenylacryloyl]phenyl] ester Formula: C24H27N3O3 MolecularWeight: 405.48948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC(=O)OC2=CC=CC=C2C(=O)C=CC3=CC=CC=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1CCC(=O)OC2=CC=CC=C2C(=O)/C=C/C3=CC=CC=C3)C(=N)N

InChI

InChI=1S/C24H27N3O3/c25-24(26)27-16-14-19(15-17-27)11-13-23(29)30-22-9-5-4-8-20(22)21(28)12-10-18-6-2-1-3-7-18/h1-10,12,19H,11,13-17H2,(H3,25,26)/b12-10+