methyl (E)-3-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[4-[2-[(4-carbamimidoylbenzoyl)amino]-1-hydroxy-ethyl]-2-hydroxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[2-[(4-carbamimidoylbenzoyl)amino]-1-hydroxyethyl]-2-hydroxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-[2-[(4-amidinobenzoyl)amino]-1-hydroxy-ethyl]-2-hydroxy-phenyl]acrylic acid methyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=C(C=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)C(=N)N)O)O

Isomeric SMILES

COC(=O)/C=C/C1=C(C=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)C(=N)N)O)O

InChI

InChI=1S/C20H21N3O5/c1-28-18(26)9-8-12-2-7-15(10-16(12)24)17(25)11-23-20(27)14-5-3-13(4-6-14)19(21)22/h2-10,17,24-25H,11H2,1H3,(H3,21,22)(H,23,27)/b9-8+