(2S)-2-oxidanyl-2-phenyl-ethanoic acid; (5S)-8-pyridin-3-yl-4,8-diazaspiro[4.4]nonane

Systemtic Name: (2S)-2-oxidanyl-2-phenyl-ethanoic acid; (5S)-8-pyridin-3-yl-4,8-diazaspiro[4.4]nonane Openeye Name: (2S)-2-hydroxy-2-phenyl-acetic acid; (5S)-8-(3-pyridyl)-4,8-diazaspiro[4.4]nonane CAS Name: (2S)-2-hydroxy-2-phenylacetic acid; (5S)-8-(3-pyridinyl)-4,8-diazaspiro[4.4]nonane IUPAC Name: (2S)-2-hydroxy-2-phenylacetic acid; (5S)-8-pyridin-3-yl-4,8-diazaspiro[4.4]nonane Traditional Name: (2S)-2-hydroxy-2-phenyl-acetic acid; (5S)-8-(3-pyridyl)-4,8-diazaspiro[4.4]nonane Formula: C20H25N3O3 MolecularWeight: 355.4308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCN(C2)C3=CN=CC=C3)NC1.C1=CC=C(C=C1)C(C(=O)O)O

Isomeric SMILES

C1C[C@@]2(CCN(C2)C3=CN=CC=C3)NC1.C1=CC=C(C=C1)[C@@H](C(=O)O)O

InChI

InChI=1S/C12H17N3.C8H8O3/c1-3-11(9-13-6-1)15-8-5-12(10-15)4-2-7-14-12;9-7(8(10)11)6-4-2-1-3-5-6/h1,3,6,9,14H,2,4-5,7-8,10H2;1-5,7,9H,(H,10,11)/t12-;7-/m00/s1