2-[4-[1-azanyl-3-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]phenyl]propan-2-ylphosphonic acid

Systemtic Name: 2-[4-[1-azanyl-3-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]phenyl]propan-2-ylphosphonic acid Openeye Name: [1-[4-[2-amino-1-[(4-chlorophenyl)methyl]-2-oxo-ethyl]phenyl]-1-methyl-ethyl]phosphonic acid CAS Name: 2-[4-[1-amino-3-(4-chlorophenyl)-1-oxopropan-2-yl]phenyl]propan-2-ylphosphonic acid IUPAC Name: 2-[4-[1-amino-3-(4-chlorophenyl)-1-oxopropan-2-yl]phenyl]propan-2-ylphosphonic acid Traditional Name: [1-[4-[2-amino-1-(4-chlorobenzyl)-2-keto-ethyl]phenyl]-1-methyl-ethyl]phosphonic acid Formula: C18H21ClNO4P MolecularWeight: 381.790401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C(CC2=CC=C(C=C2)Cl)C(=O)N)P(=O)(O)O

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)C(CC2=CC=C(C=C2)Cl)C(=O)N)P(=O)(O)O

InChI

InChI=1S/C18H21ClNO4P/c1-18(2,25(22,23)24)14-7-5-13(6-8-14)16(17(20)21)11-12-3-9-15(19)10-4-12/h3-10,16H,11H2,1-2H3,(H2,20,21)(H2,22,23,24)