[2-methyl-4-[4-(3-phenylpropoxy)phenyl]-1-phosphonooxy-butan-2-yl]carbamic acid

Systemtic Name: [2-methyl-4-[4-(3-phenylpropoxy)phenyl]-1-phosphonooxy-butan-2-yl]carbamic acid Openeye Name: [1-methyl-3-[4-(3-phenylpropoxy)phenyl]-1-(phosphonooxymethyl)propyl]carbamic acid CAS Name: [2-methyl-4-[4-(3-phenylpropoxy)phenyl]-1-phosphonooxybutan-2-yl]carbamic acid IUPAC Name: [2-methyl-4-[4-(3-phenylpropoxy)phenyl]-1-phosphonooxybutan-2-yl]carbamic acid Traditional Name: [1-methyl-3-[4-(3-phenylpropoxy)phenyl]-1-(phosphonooxymethyl)propyl]carbamic acid Formula: C21H28NO7P MolecularWeight: 437.423281

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OCCCC2=CC=CC=C2)(COP(=O)(O)O)NC(=O)O

Isomeric SMILES

CC(CCC1=CC=C(C=C1)OCCCC2=CC=CC=C2)(COP(=O)(O)O)NC(=O)O

InChI

InChI=1S/C21H28NO7P/c1-21(22-20(23)24,16-29-30(25,26)27)14-13-18-9-11-19(12-10-18)28-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,22H,5,8,13-16H2,1H3,(H,23,24)(H2,25,26,27)