[4-[[[3-(aminomethyl)phenyl]methyl-cyclohexylcarbonyl-amino]methyl]phenyl]methylphosphonic acid

Systemtic Name: [4-[[[3-(aminomethyl)phenyl]methyl-cyclohexylcarbonyl-amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[[3-(aminomethyl)phenyl]methyl-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[[3-(aminomethyl)benzyl]-(cyclohexanecarbonyl)amino]methyl]benzyl]phosphonic acid Formula: C23H31N2O4P MolecularWeight: 430.477001

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC2=CC=C(C=C2)CP(=O)(O)O)CC3=CC=CC(=C3)CN

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC=C(C=C2)CP(=O)(O)O)CC3=CC=CC(=C3)CN

InChI

InChI=1S/C23H31N2O4P/c24-14-20-5-4-6-21(13-20)16-25(23(26)22-7-2-1-3-8-22)15-18-9-11-19(12-10-18)17-30(27,28)29/h4-6,9-13,22H,1-3,7-8,14-17,24H2,(H2,27,28,29)