4-azanyl-3-[(phenethylamino)methyl]benzoate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 4-azanyl-3-[(phenethylamino)methyl]benzoate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 4-amino-3-[(phenethylamino)methyl]benzoate; 2,2,2-trifluoroacetate CAS Name: 4-amino-3-[(phenethylamino)methyl]benzoate; 2,2,2-trifluoroacetate IUPAC Name: 4-amino-3-[(phenethylamino)methyl]benzoate; 2,2,2-trifluoroacetate Traditional Name: 4-amino-3-[(phenethylamino)methyl]benzoate; 2,2,2-trifluoroacetate Formula: C18H17F3N2O4-2 MolecularWeight: 382.33379

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCC2=C(C=CC(=C2)C(=O)[O-])N.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNCC2=C(C=CC(=C2)C(=O)[O-])N.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C16H18N2O2.C2HF3O2/c17-15-7-6-13(16(19)20)10-14(15)11-18-9-8-12-4-2-1-3-5-12;3-2(4,5)1(6)7/h1-7,10,18H,8-9,11,17H2,(H,19,20);(H,6,7)/p-2