[C-[3-[(E,2R,3R)-2-methoxycarbonyl-3-[(3-methylphenyl)carbonylamino]-5-phenyl-pent-4-enyl]phenyl]carbonimidoyl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [C-[3-[(E,2R,3R)-2-methoxycarbonyl-3-[(3-methylphenyl)carbonylamino]-5-phenyl-pent-4-enyl]phenyl]carbonimidoyl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [3-[(E,2R,3R)-2-methoxycarbonyl-3-[(3-methylbenzoyl)amino]-5-phenyl-pent-4-enyl]benzenecarboximidoyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [imino-[3-[(E,2R,3R)-2-methoxycarbonyl-3-[[(3-methylphenyl)-oxomethyl]amino]-5-phenylpent-4-enyl]phenyl]methyl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [3-[(E,2R,3R)-2-methoxycarbonyl-3-[(3-methylbenzoyl)amino]-5-phenylpent-4-enyl]benzenecarboximidoyl]azanium; 2,2,2-trifluoroacetate Traditional Name: [3-[(E,2R,3R)-2-carbomethoxy-3-(m-toluoylamino)-5-phenyl-pent-4-enyl]benzimidoyl]ammonium; 2,2,2-trifluoroacetate Formula: C30H30F3N3O5 MolecularWeight: 569.57151

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C=CC2=CC=CC=C2)C(CC3=CC=CC(=C3)C(=N)[NH3+])C(=O)OC.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@H](/C=C/C2=CC=CC=C2)[C@@H](CC3=CC=CC(=C3)C(=N)[NH3+])C(=O)OC.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C28H29N3O3.C2HF3O2/c1-19-8-6-13-23(16-19)27(32)31-25(15-14-20-9-4-3-5-10-20)24(28(33)34-2)18-21-11-7-12-22(17-21)26(29)30;3-2(4,5)1(6)7/h3-17,24-25H,18H2,1-2H3,(H3,29,30)(H,31,32);(H,6,7)/b15-14+;/t24-,25-;/m1./s1