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

Systemtic Name: [4-[[3-azanylpropyl-(3-methylphenyl)carbonyl-amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[3-aminopropyl-(3-methylbenzoyl)amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[3-aminopropyl-[(3-methylphenyl)-oxomethyl]amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[3-aminopropyl-(3-methylbenzoyl)amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[3-aminopropyl(m-toluoyl)amino]methyl]benzyl]phosphonic acid Formula: C19H25N2O4P MolecularWeight: 376.386561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N2O4P/c1-15-4-2-5-18(12-15)19(22)21(11-3-10-20)13-16-6-8-17(9-7-16)14-26(23,24)25/h2,4-9,12H,3,10-11,13-14,20H2,1H3,(H2,23,24,25)