(E)-3-[4-[3-(1-carbamimidoylpiperidin-4-yl)propanoyloxy]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[3-(1-carbamimidoylpiperidin-4-yl)propanoyloxy]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[3-(1-carbamimidoyl-4-piperidyl)propanoyloxy]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[3-(1-carbamimidoyl-4-piperidinyl)-1-oxopropoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[3-(1-carbamimidoylpiperidin-4-yl)propanoyloxy]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[3-(1-amidino-4-piperidyl)propanoyloxy]phenyl]acrylic acid Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC(=O)OC2=CC=C(C=C2)C=CC(=O)O)C(=N)N

Isomeric SMILES

C1CN(CCC1CCC(=O)OC2=CC=C(C=C2)/C=C/C(=O)O)C(=N)N

InChI

InChI=1S/C18H23N3O4/c19-18(20)21-11-9-14(10-12-21)4-8-17(24)25-15-5-1-13(2-6-15)3-7-16(22)23/h1-3,5-7,14H,4,8-12H2,(H3,19,20)(H,22,23)/b7-3+