(E)-3-[4-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]oxy-3-methoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]oxy-3-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[2-amino-3-(1H-imidazol-5-yl)propanoyl]oxy-3-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropoxy]-3-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[2-amino-3-(1H-imidazol-5-yl)propanoyl]oxy-3-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[2-amino-3-(1H-imidazol-5-yl)propanoyl]oxy-3-methoxy-phenyl]acrylic acid Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)O)OC(=O)C(CC2=CN=CN2)N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)O)OC(=O)C(CC2=CN=CN2)N

InChI

InChI=1S/C16H17N3O5/c1-23-14-6-10(3-5-15(20)21)2-4-13(14)24-16(22)12(17)7-11-8-18-9-19-11/h2-6,8-9,12H,7,17H2,1H3,(H,18,19)(H,20,21)/b5-3+