[4-[2-azanyl-3-oxidanylidene-3-[(phenylmethyl)amino]propyl]phenyl]methylphosphonic acid

Systemtic Name: [4-[2-azanyl-3-oxidanylidene-3-[(phenylmethyl)amino]propyl]phenyl]methylphosphonic acid Openeye Name: [4-[2-amino-3-(benzylamino)-3-oxo-propyl]phenyl]methylphosphonic acid CAS Name: [4-[2-amino-3-oxo-3-[(phenylmethyl)amino]propyl]phenyl]methylphosphonic acid IUPAC Name: [4-[2-amino-3-(benzylamino)-3-oxopropyl]phenyl]methylphosphonic acid Traditional Name: [4-[2-amino-3-(benzylamino)-3-keto-propyl]benzyl]phosphonic acid Formula: C17H21N2O4P MolecularWeight: 348.333401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(CC2=CC=C(C=C2)CP(=O)(O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(CC2=CC=C(C=C2)CP(=O)(O)O)N

InChI

InChI=1S/C17H21N2O4P/c18-16(17(20)19-11-14-4-2-1-3-5-14)10-13-6-8-15(9-7-13)12-24(21,22)23/h1-9,16H,10-12,18H2,(H,19,20)(H2,21,22,23)