phosphonooxymethyl 4-[[4-(diethylcarbamoyl)phenyl]-phenyl-methylidene]piperidine-1-carboxylate

Systemtic Name: phosphonooxymethyl 4-[[4-(diethylcarbamoyl)phenyl]-phenyl-methylidene]piperidine-1-carboxylate Openeye Name: phosphonooxymethyl 4-[[4-(diethylcarbamoyl)phenyl]-phenyl-methylene]piperidine-1-carboxylate CAS Name: 4-[[4-[diethylamino(oxo)methyl]phenyl]-phenylmethylidene]-1-piperidinecarboxylic acid phosphonooxymethyl ester IUPAC Name: phosphonooxymethyl 4-[[4-(diethylcarbamoyl)phenyl]-phenylmethylidene]piperidine-1-carboxylate Traditional Name: 4-[[4-(diethylcarbamoyl)phenyl]-phenyl-methylene]piperidine-1-carboxylic acid phosphonooxymethyl ester Formula: C25H31N2O7P MolecularWeight: 502.496601

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(=C2CCN(CC2)C(=O)OCOP(=O)(O)O)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C(=C2CCN(CC2)C(=O)OCOP(=O)(O)O)C3=CC=CC=C3

InChI

InChI=1S/C25H31N2O7P/c1-3-26(4-2)24(28)22-12-10-20(11-13-22)23(19-8-6-5-7-9-19)21-14-16-27(17-15-21)25(29)33-18-34-35(30,31)32/h5-13H,3-4,14-18H2,1-2H3,(H2,30,31,32)