(1R,2R)-2-azanyl-1-phenyl-propan-1-ol; (2S,3S)-3-cyclohexyloxirane-2-carboxylic acid

Systemtic Name: (1R,2R)-2-azanyl-1-phenyl-propan-1-ol; (2S,3S)-3-cyclohexyloxirane-2-carboxylic acid Openeye Name: (1R,2R)-2-amino-1-phenyl-propan-1-ol; (2S,3S)-3-cyclohexyloxirane-2-carboxylic acid CAS Name: (1R,2R)-2-amino-1-phenyl-1-propanol; (2S,3S)-3-cyclohexyl-2-oxiranecarboxylic acid IUPAC Name: (1R,2R)-2-amino-1-phenylpropan-1-ol; (2S,3S)-3-cyclohexyloxirane-2-carboxylic acid Traditional Name: (1R,2R)-2-amino-1-phenyl-propan-1-ol; (2S,3S)-3-cyclohexyloxirane-2-carboxylic acid Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)N.C1CCC(CC1)C2C(O2)C(=O)O

Isomeric SMILES

C[C@H]([C@@H](C1=CC=CC=C1)O)N.C1CCC(CC1)[C@H]2[C@H](O2)C(=O)O

InChI

InChI=1S/C9H13NO.C9H14O3/c1-7(10)9(11)8-5-3-2-4-6-8;10-9(11)8-7(12-8)6-4-2-1-3-5-6/h2-7,9,11H,10H2,1H3;6-8H,1-5H2,(H,10,11)/t7-,9+;7-,8-/m10/s1