[4-[[2-azanylethyl-(3-methylphenyl)carbonyl-amino]methyl]phenyl]methylphosphonic acid

Systemtic Name: [4-[[2-azanylethyl-(3-methylphenyl)carbonyl-amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[2-aminoethyl-(3-methylbenzoyl)amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[2-aminoethyl-[(3-methylphenyl)-oxomethyl]amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[2-aminoethyl-(3-methylbenzoyl)amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[2-aminoethyl(m-toluoyl)amino]methyl]benzyl]phosphonic acid Formula: C18H23N2O4P MolecularWeight: 362.359981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N2O4P/c1-14-3-2-4-17(11-14)18(21)20(10-9-19)12-15-5-7-16(8-6-15)13-25(22,23)24/h2-8,11H,9-10,12-13,19H2,1H3,(H2,22,23,24)