6-azanyl-2-[[3-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-yl-prop-1-enyl]phenyl]carbonylamino]hexanoate

Systemtic Name: 6-azanyl-2-[[3-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-yl-prop-1-enyl]phenyl]carbonylamino]hexanoate Openeye Name: 6-amino-2-[[3-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-yl-prop-1-enyl]benzoyl]amino]hexanoate CAS Name: 6-amino-2-[[[3-[(Z)-2-(4-fluorophenyl)-3-(1-imidazolyl)prop-1-enyl]phenyl]-oxomethyl]amino]hexanoate IUPAC Name: 6-amino-2-[[3-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoyl]amino]hexanoate Traditional Name: 6-amino-2-[[3-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-yl-prop-1-enyl]benzoyl]amino]hexanoate Formula: C25H26FN4O3- MolecularWeight: 449.497343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)NC(CCCCN)C(=O)[O-])C=C(CN2C=CN=C2)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)NC(CCCCN)C(=O)[O-])/C=C(\CN2C=CN=C2)/C3=CC=C(C=C3)F

InChI

InChI=1S/C25H27FN4O3/c26-22-9-7-19(8-10-22)21(16-30-13-12-28-17-30)15-18-4-3-5-20(14-18)24(31)29-23(25(32)33)6-1-2-11-27/h3-5,7-10,12-15,17,23H,1-2,6,11,16,27H2,(H,29,31)(H,32,33)/p-1/b21-15+