(E)-3-[3-[(4-aminophenyl)methyl]-2-butyl-5-chloranyl-imidazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[(4-aminophenyl)methyl]-2-butyl-5-chloranyl-imidazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[3-[(4-aminophenyl)methyl]-2-butyl-5-chloro-imidazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[3-[(4-aminophenyl)methyl]-2-butyl-5-chloro-4-imidazolyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[(4-aminophenyl)methyl]-2-butyl-5-chloroimidazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[3-(4-aminobenzyl)-2-butyl-5-chloro-imidazol-4-yl]acrylic acid Formula: C17H20ClN3O2 MolecularWeight: 333.8126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)N)C=CC(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)N)/C=C/C(=O)O)Cl

InChI

InChI=1S/C17H20ClN3O2/c1-2-3-4-15-20-17(18)14(9-10-16(22)23)21(15)11-12-5-7-13(19)8-6-12/h5-10H,2-4,11,19H2,1H3,(H,22,23)/b10-9+