[azanyl-[4-[[3-[4-(carboxymethyl)piperidin-1-yl]-2,2-dimethyl-1-naphthalen-2-yl-3-oxidanylidene-propyl]carbamoyl]phenyl]methylidene]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [azanyl-[4-[[3-[4-(carboxymethyl)piperidin-1-yl]-2,2-dimethyl-1-naphthalen-2-yl-3-oxidanylidene-propyl]carbamoyl]phenyl]methylidene]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [amino-[4-[[3-[4-(carboxymethyl)-1-piperidyl]-2,2-dimethyl-1-(2-naphthyl)-3-oxo-propyl]carbamoyl]phenyl]methylene]ammonium; 2,2,2-trifluoroacetate CAS Name: [amino-[4-[[[3-[4-(carboxymethyl)-1-piperidinyl]-2,2-dimethyl-1-(2-naphthalenyl)-3-oxopropyl]amino]-oxomethyl]phenyl]methylidene]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [amino-[4-[[3-[4-(carboxymethyl)piperidin-1-yl]-2,2-dimethyl-1-naphthalen-2-yl-3-oxopropyl]carbamoyl]phenyl]methylidene]azanium; 2,2,2-trifluoroacetate Traditional Name: [amino-[4-[[3-[4-(carboxymethyl)piperidino]-3-keto-2,2-dimethyl-1-(2-naphthyl)propyl]carbamoyl]phenyl]methylene]ammonium; 2,2,2-trifluoroacetate Formula: C32H35F3N4O6 MolecularWeight: 628.63871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C1=CC2=CC=CC=C2C=C1)NC(=O)C3=CC=C(C=C3)C(=[NH2+])N)C(=O)N4CCC(CC4)CC(=O)O.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC(C)(C(C1=CC2=CC=CC=C2C=C1)NC(=O)C3=CC=C(C=C3)C(=[NH2+])N)C(=O)N4CCC(CC4)CC(=O)O.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C30H34N4O4.C2HF3O2/c1-30(2,29(38)34-15-13-19(14-16-34)17-25(35)36)26(24-12-7-20-5-3-4-6-23(20)18-24)33-28(37)22-10-8-21(9-11-22)27(31)32;3-2(4,5)1(6)7/h3-12,18-19,26H,13-17H2,1-2H3,(H3,31,32)(H,33,37)(H,35,36);(H,6,7)