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

Systemtic Name: (E)-3-[4-[3-(1-carbamimidoylpiperidin-4-yl)propanoyloxy]-3-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[3-(1-carbamimidoyl-4-piperidyl)propanoyloxy]-3-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[3-(1-carbamimidoyl-4-piperidinyl)-1-oxopropoxy]-3-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[3-(1-carbamimidoylpiperidin-4-yl)propanoyloxy]-3-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[3-(1-amidino-4-piperidyl)propanoyloxy]-3-methoxy-phenyl]acrylic acid Formula: C19H25N3O5 MolecularWeight: 375.4189

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)O)OC(=O)CCC2CCN(CC2)C(=N)N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)O)OC(=O)CCC2CCN(CC2)C(=N)N

InChI

InChI=1S/C19H25N3O5/c1-26-16-12-14(3-6-17(23)24)2-5-15(16)27-18(25)7-4-13-8-10-22(11-9-13)19(20)21/h2-3,5-6,12-13H,4,7-11H2,1H3,(H3,20,21)(H,23,24)/b6-3+