N-acetamido-[(cyclohexylamino)-phenyl-methyl]-N-phenyl-phosphonamidic acid

Systemtic Name: N-acetamido-[(cyclohexylamino)-phenyl-methyl]-N-phenyl-phosphonamidic acid Openeye Name: N-acetamido-[(cyclohexylamino)-phenyl-methyl]-N-phenyl-phosphonamidic acid CAS Name: N-acetamido-[(cyclohexylamino)-phenylmethyl]-N-phenylphosphonamidic acid IUPAC Name: N-acetamido-[(cyclohexylamino)-phenylmethyl]-N-phenylphosphonamidic acid Traditional Name: N-acetamido-[(cyclohexylamino)-phenyl-methyl]-N-phenyl-phosphonamidic acid Formula: C21H28N3O3P MolecularWeight: 401.439081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NN(C1=CC=CC=C1)P(=O)(C(C2=CC=CC=C2)NC3CCCCC3)O

Isomeric SMILES

CC(=O)NN(C1=CC=CC=C1)P(=O)(C(C2=CC=CC=C2)NC3CCCCC3)O

InChI

InChI=1S/C21H28N3O3P/c1-17(25)23-24(20-15-9-4-10-16-20)28(26,27)21(18-11-5-2-6-12-18)22-19-13-7-3-8-14-19/h2,4-6,9-12,15-16,19,21-22H,3,7-8,13-14H2,1H3,(H,23,25)(H,26,27)