[4-[[(4-azanylcyclohexyl)-(2-methylpropyl)amino]methyl]phenyl]methylphosphonic acid

Systemtic Name: [4-[[(4-azanylcyclohexyl)-(2-methylpropyl)amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[(4-aminocyclohexyl)-isobutyl-amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[(4-aminocyclohexyl)-(2-methylpropyl)amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[(4-aminocyclohexyl)-(2-methylpropyl)amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[(4-aminocyclohexyl)-isobutyl-amino]methyl]benzyl]phosphonic acid Formula: C18H31N2O3P MolecularWeight: 354.424101

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)CP(=O)(O)O)C2CCC(CC2)N

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)CP(=O)(O)O)C2CCC(CC2)N

InChI

InChI=1S/C18H31N2O3P/c1-14(2)11-20(18-9-7-17(19)8-10-18)12-15-3-5-16(6-4-15)13-24(21,22)23/h3-6,14,17-18H,7-13,19H2,1-2H3,(H2,21,22,23)