4-[[4-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[(2S)-2-amino-3-hydroxy-3-oxopropyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[(2S)-2-amino-3-hydroxy-3-oxopropyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[(2S)-2-amino-3-hydroxy-3-keto-propyl]phenoxy]methyl]benzoic acid Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)OCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)O)N)OCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H17NO5/c18-15(17(21)22)9-11-3-7-14(8-4-11)23-10-12-1-5-13(6-2-12)16(19)20/h1-8,15H,9-10,18H2,(H,19,20)(H,21,22)/t15-/m0/s1