[C-[3-[(E,2R,3R)-2-methoxycarbonyl-3-(naphthalen-1-ylcarbonylamino)-5-phenyl-pent-4-enyl]phenyl]carbonimidoyl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [C-[3-[(E,2R,3R)-2-methoxycarbonyl-3-(naphthalen-1-ylcarbonylamino)-5-phenyl-pent-4-enyl]phenyl]carbonimidoyl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [3-[(E,2R,3R)-2-methoxycarbonyl-3-(naphthalene-1-carbonylamino)-5-phenyl-pent-4-enyl]benzenecarboximidoyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [imino-[3-[(E,2R,3R)-2-methoxycarbonyl-3-[[1-naphthalenyl(oxo)methyl]amino]-5-phenylpent-4-enyl]phenyl]methyl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [3-[(E,2R,3R)-2-methoxycarbonyl-3-(naphthalene-1-carbonylamino)-5-phenylpent-4-enyl]benzenecarboximidoyl]azanium; 2,2,2-trifluoroacetate Traditional Name: [3-[(E,2R,3R)-2-carbomethoxy-3-(1-naphthoylamino)-5-phenyl-pent-4-enyl]benzimidoyl]ammonium; 2,2,2-trifluoroacetate Formula: C33H30F3N3O5 MolecularWeight: 605.60361

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC(=C1)C(=N)[NH3+])C(C=CC2=CC=CC=C2)NC(=O)C3=CC=CC4=CC=CC=C43.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC(=C1)C(=N)[NH3+])[C@@H](/C=C/C2=CC=CC=C2)NC(=O)C3=CC=CC4=CC=CC=C43.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C31H29N3O3.C2HF3O2/c1-37-31(36)27(20-22-11-7-14-24(19-22)29(32)33)28(18-17-21-9-3-2-4-10-21)34-30(35)26-16-8-13-23-12-5-6-15-25(23)26;3-2(4,5)1(6)7/h2-19,27-28H,20H2,1H3,(H3,32,33)(H,34,35);(H,6,7)/b18-17+;/t27-,28-;/m1./s1