4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylamino]benzoic acid

Systemtic Name: 4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylamino]benzoic acid Openeye Name: 4-[(4-acetyl-3-hydroxy-2-propyl-phenyl)methylamino]benzoic acid CAS Name: 4-[(4-acetyl-3-hydroxy-2-propylphenyl)methylamino]benzoic acid IUPAC Name: 4-[(4-acetyl-3-hydroxy-2-propylphenyl)methylamino]benzoic acid Traditional Name: 4-[(4-acetyl-3-hydroxy-2-propyl-benzyl)amino]benzoic acid Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)CNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)CNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C19H21NO4/c1-3-4-17-14(7-10-16(12(2)21)18(17)22)11-20-15-8-5-13(6-9-15)19(23)24/h5-10,20,22H,3-4,11H2,1-2H3,(H,23,24)