[3-[2-(3-cyanophenyl)ethylamino]-2-oxidanyl-propyl]-(cyclohexylmethyl)phosphinic acid

Systemtic Name: [3-[2-(3-cyanophenyl)ethylamino]-2-oxidanyl-propyl]-(cyclohexylmethyl)phosphinic acid Openeye Name: [3-[2-(3-cyanophenyl)ethylamino]-2-hydroxy-propyl]-(cyclohexylmethyl)phosphinic acid CAS Name: [3-[2-(3-cyanophenyl)ethylamino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid IUPAC Name: [3-[2-(3-cyanophenyl)ethylamino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid Traditional Name: [3-[2-(3-cyanophenyl)ethylamino]-2-hydroxy-propyl]-(cyclohexylmethyl)phosphinic acid Formula: C19H29N2O3P MolecularWeight: 364.418921

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CP(=O)(CC(CNCCC2=CC=CC(=C2)C#N)O)O

Isomeric SMILES

C1CCC(CC1)CP(=O)(CC(CNCCC2=CC=CC(=C2)C#N)O)O

InChI

InChI=1S/C19H29N2O3P/c20-12-18-8-4-7-16(11-18)9-10-21-13-19(22)15-25(23,24)14-17-5-2-1-3-6-17/h4,7-8,11,17,19,21-22H,1-3,5-6,9-10,13-15H2,(H,23,24)