[4-[[(4-azanylcyclohexyl)-(3-methylphenyl)carbonyl-amino]methyl]phenyl]methylphosphonic acid

Systemtic Name: [4-[[(4-azanylcyclohexyl)-(3-methylphenyl)carbonyl-amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[(4-aminocyclohexyl)-(3-methylbenzoyl)amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[(4-aminocyclohexyl)-[(3-methylphenyl)-oxomethyl]amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[(4-aminocyclohexyl)-(3-methylbenzoyl)amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[(4-aminocyclohexyl)-m-toluoyl-amino]methyl]benzyl]phosphonic acid Formula: C22H29N2O4P MolecularWeight: 416.450421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N(CC2=CC=C(C=C2)CP(=O)(O)O)C3CCC(CC3)N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N(CC2=CC=C(C=C2)CP(=O)(O)O)C3CCC(CC3)N

InChI

InChI=1S/C22H29N2O4P/c1-16-3-2-4-19(13-16)22(25)24(21-11-9-20(23)10-12-21)14-17-5-7-18(8-6-17)15-29(26,27)28/h2-8,13,20-21H,9-12,14-15,23H2,1H3,(H2,26,27,28)