3-[[4-[4-(3-phenylpropyl)piperidin-1-yl]carbonylphenyl]methylamino]propylphosphonic acid

Systemtic Name: 3-[[4-[4-(3-phenylpropyl)piperidin-1-yl]carbonylphenyl]methylamino]propylphosphonic acid Openeye Name: 3-[[4-[4-(3-phenylpropyl)piperidine-1-carbonyl]phenyl]methylamino]propylphosphonic acid CAS Name: 3-[[4-[oxo-[4-(3-phenylpropyl)-1-piperidinyl]methyl]phenyl]methylamino]propylphosphonic acid IUPAC Name: 3-[[4-[4-(3-phenylpropyl)piperidine-1-carbonyl]phenyl]methylamino]propylphosphonic acid Traditional Name: 3-[[4-[4-(3-phenylpropyl)piperidine-1-carbonyl]benzyl]amino]propylphosphonic acid Formula: C25H35N2O4P MolecularWeight: 458.530161

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CNCCCP(=O)(O)O

Isomeric SMILES

C1CN(CCC1CCCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CNCCCP(=O)(O)O

InChI

InChI=1S/C25H35N2O4P/c28-25(24-12-10-23(11-13-24)20-26-16-5-19-32(29,30)31)27-17-14-22(15-18-27)9-4-8-21-6-2-1-3-7-21/h1-3,6-7,10-13,22,26H,4-5,8-9,14-20H2,(H2,29,30,31)