4-[4-[(7-cyanonaphthalen-2-yl)oxy-diethoxyphosphoryl-methyl]phenoxy]piperidine-1-carboxylic acid

Systemtic Name: 4-[4-[(7-cyanonaphthalen-2-yl)oxy-diethoxyphosphoryl-methyl]phenoxy]piperidine-1-carboxylic acid Openeye Name: 4-[4-[(7-cyano-2-naphthyl)oxy-diethoxyphosphoryl-methyl]phenoxy]piperidine-1-carboxylic acid CAS Name: 4-[4-[(7-cyano-2-naphthalenyl)oxy-diethoxyphosphorylmethyl]phenoxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[4-[(7-cyanonaphthalen-2-yl)oxy-diethoxyphosphorylmethyl]phenoxy]piperidine-1-carboxylic acid Traditional Name: 4-[4-[(7-cyano-2-naphthoxy)-diethoxyphosphoryl-methyl]phenoxy]piperidine-1-carboxylic acid Formula: C28H31N2O7P MolecularWeight: 538.528701

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC=C(C=C1)OC2CCN(CC2)C(=O)O)OC3=CC4=C(C=CC(=C4)C#N)C=C3)OCC

Isomeric SMILES

CCOP(=O)(C(C1=CC=C(C=C1)OC2CCN(CC2)C(=O)O)OC3=CC4=C(C=CC(=C4)C#N)C=C3)OCC

InChI

InChI=1S/C28H31N2O7P/c1-3-34-38(33,35-4-2)27(37-26-12-7-21-6-5-20(19-29)17-23(21)18-26)22-8-10-24(11-9-22)36-25-13-15-30(16-14-25)28(31)32/h5-12,17-18,25,27H,3-4,13-16H2,1-2H3,(H,31,32)