[3-ethyl-7-[(2-methylphenyl)amino]-7-oxidanylidene-heptan-3-yl]phosphonic acid

Systemtic Name: [3-ethyl-7-[(2-methylphenyl)amino]-7-oxidanylidene-heptan-3-yl]phosphonic acid Openeye Name: [1,1-diethyl-5-(2-methylanilino)-5-oxo-pentyl]phosphonic acid CAS Name: [3-ethyl-7-(2-methylanilino)-7-oxoheptan-3-yl]phosphonic acid IUPAC Name: [3-ethyl-7-(2-methylanilino)-7-oxoheptan-3-yl]phosphonic acid Traditional Name: [1,1-diethyl-5-keto-5-(o-toluidino)pentyl]phosphonic acid Formula: C16H26NO4P MolecularWeight: 327.355701

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCCC(=O)NC1=CC=CC=C1C)P(=O)(O)O

Isomeric SMILES

CCC(CC)(CCCC(=O)NC1=CC=CC=C1C)P(=O)(O)O

InChI

InChI=1S/C16H26NO4P/c1-4-16(5-2,22(19,20)21)12-8-11-15(18)17-14-10-7-6-9-13(14)3/h6-7,9-10H,4-5,8,11-12H2,1-3H3,(H,17,18)(H2,19,20,21)