[4-[[2-cyano-5-(trifluoromethyl)phenyl]amino]-6-methyl-heptyl]carbamic acid

Systemtic Name: [4-[[2-cyano-5-(trifluoromethyl)phenyl]amino]-6-methyl-heptyl]carbamic acid Openeye Name: [4-[2-cyano-5-(trifluoromethyl)anilino]-6-methyl-heptyl]carbamic acid CAS Name: [4-[2-cyano-5-(trifluoromethyl)anilino]-6-methylheptyl]carbamic acid IUPAC Name: [4-[2-cyano-5-(trifluoromethyl)anilino]-6-methylheptyl]carbamic acid Traditional Name: [4-[2-cyano-5-(trifluoromethyl)anilino]-6-methyl-heptyl]carbamic acid Formula: C17H22F3N3O2 MolecularWeight: 357.37069

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CCCNC(=O)O)NC1=C(C=CC(=C1)C(F)(F)F)C#N

Isomeric SMILES

CC(C)CC(CCCNC(=O)O)NC1=C(C=CC(=C1)C(F)(F)F)C#N

InChI

InChI=1S/C17H22F3N3O2/c1-11(2)8-14(4-3-7-22-16(24)25)23-15-9-13(17(18,19)20)6-5-12(15)10-21/h5-6,9,11,14,22-23H,3-4,7-8H2,1-2H3,(H,24,25)