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

Systemtic Name: 4-[[3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl]methyl]benzoic acid Openeye Name: 4-[[3-(2-amino-3-hydroxy-3-oxo-propyl)phenyl]methyl]benzoic acid CAS Name: 4-[[3-(2-amino-3-hydroxy-3-oxopropyl)phenyl]methyl]benzoic acid IUPAC Name: 4-[[3-(2-amino-3-hydroxy-3-oxopropyl)phenyl]methyl]benzoic acid Traditional Name: 4-[3-(2-amino-3-hydroxy-3-keto-propyl)benzyl]benzoic acid Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC(C(=O)O)N)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CC(C(=O)O)N)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H17NO4/c18-15(17(21)22)10-13-3-1-2-12(9-13)8-11-4-6-14(7-5-11)16(19)20/h1-7,9,15H,8,10,18H2,(H,19,20)(H,21,22)