(2S)-2-azanyl-1-(2-diphenoxyphosphorylpiperidin-1-yl)propan-1-one; ethanoic acid

Systemtic Name: (2S)-2-azanyl-1-(2-diphenoxyphosphorylpiperidin-1-yl)propan-1-one; ethanoic acid Openeye Name: acetic acid; (2S)-2-amino-1-(2-diphenoxyphosphoryl-1-piperidyl)propan-1-one CAS Name: acetic acid; (2S)-2-amino-1-(2-diphenoxyphosphoryl-1-piperidinyl)-1-propanone IUPAC Name: acetic acid; (2S)-2-amino-1-(2-diphenoxyphosphorylpiperidin-1-yl)propan-1-one Traditional Name: acetic acid; (2S)-2-amino-1-(2-diphenoxyphosphorylpiperidino)propan-1-one Formula: C22H29N2O6P MolecularWeight: 448.449221

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)N.CC(=O)O

Isomeric SMILES

C[C@@H](C(=O)N1CCCCC1P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)N.CC(=O)O

InChI

InChI=1S/C20H25N2O4P.C2H4O2/c1-16(21)20(23)22-15-9-8-14-19(22)27(24,25-17-10-4-2-5-11-17)26-18-12-6-3-7-13-18;1-2(3)4/h2-7,10-13,16,19H,8-9,14-15,21H2,1H3;1H3,(H,3,4)/t16-,19?;/m0./s1