aminocarbonyloxy-[2-carbamimidoyl-3,5-diethyl-1-methyl-4-(trifluoromethyl)indol-6-yl]phosphinic acid

Systemtic Name: aminocarbonyloxy-[2-carbamimidoyl-3,5-diethyl-1-methyl-4-(trifluoromethyl)indol-6-yl]phosphinic acid Openeye Name: [2-carbamimidoyl-3,5-diethyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-carbamoyloxy-phosphinic acid CAS Name: [2-carbamimidoyl-3,5-diethyl-1-methyl-4-(trifluoromethyl)-6-indolyl]-carbamoyloxyphosphinic acid IUPAC Name: [2-carbamimidoyl-3,5-diethyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-carbamoyloxyphosphinic acid Traditional Name: [2-amidino-3,5-diethyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-carbamoyloxy-phosphinic acid Formula: C16H20F3N4O4P MolecularWeight: 420.323371

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1C(F)(F)F)C(=C(N2C)C(=N)N)CC)P(=O)(O)OC(=O)N

Isomeric SMILES

CCC1=C(C=C2C(=C1C(F)(F)F)C(=C(N2C)C(=N)N)CC)P(=O)(O)OC(=O)N

InChI

InChI=1S/C16H20F3N4O4P/c1-4-7-10(28(25,26)27-15(22)24)6-9-11(12(7)16(17,18)19)8(5-2)13(14(20)21)23(9)3/h6H,4-5H2,1-3H3,(H3,20,21)(H2,22,24)(H,25,26)