(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid hydrate hydrochloride

Systemtic Name: (E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid hydrate hydrochloride Openeye Name: (E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid hydrate hydrochloride CAS Name: (E)-3-[4-(1-imidazolylmethyl)phenyl]-2-propenoic acid hydrate hydrochloride IUPAC Name: (E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid hydrate hydrochloride Traditional Name: (E)-3-[4-(imidazol-1-ylmethyl)phenyl]acrylic acid hydrate hydrochloride Formula: C13H15ClN2O3 MolecularWeight: 282.7228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=CN=C2)C=CC(=O)O.O.Cl

Isomeric SMILES

C1=CC(=CC=C1CN2C=CN=C2)/C=C/C(=O)O.O.Cl

InChI

InChI=1S/C13H12N2O2.ClH.H2O/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15;;/h1-8,10H,9H2,(H,16,17);1H;1H2/b6-5+;;