[4-[[3-azanylpropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methylphosphonic acid

Systemtic Name: [4-[[3-azanylpropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[3-aminopropyl-[(4-isopropylphenyl)methyl]amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[3-aminopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[3-aminopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[3-aminopropyl-(4-isopropylbenzyl)amino]methyl]benzyl]phosphonic acid Formula: C21H31N2O3P MolecularWeight: 390.456201

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN(CCCN)CC2=CC=C(C=C2)CP(=O)(O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN(CCCN)CC2=CC=C(C=C2)CP(=O)(O)O

InChI

InChI=1S/C21H31N2O3P/c1-17(2)21-10-8-19(9-11-21)15-23(13-3-12-22)14-18-4-6-20(7-5-18)16-27(24,25)26/h4-11,17H,3,12-16,22H2,1-2H3,(H2,24,25,26)