2-azanyl-1-phenyl-propane-1,3-diol; benzoic acid

Systemtic Name: 2-azanyl-1-phenyl-propane-1,3-diol; benzoic acid Openeye Name: 2-amino-1-phenyl-propane-1,3-diol; benzoic acid CAS Name: 2-amino-1-phenylpropane-1,3-diol; benzoic acid IUPAC Name: 2-amino-1-phenylpropane-1,3-diol; benzoic acid Traditional Name: 2-amino-1-phenyl-propane-1,3-diol; benzoic acid Formula: C23H25NO6 MolecularWeight: 411.4477

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CO)N)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(CO)N)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C9H13NO2.2C7H6O2/c10-8(6-11)9(12)7-4-2-1-3-5-7;2*8-7(9)6-4-2-1-3-5-6/h1-5,8-9,11-12H,6,10H2;2*1-5H,(H,8,9)