4-methoxy-3-[(1-phenyl-5-propyl-pyrazol-4-yl)methylamino]benzoic acid

Systemtic Name: 4-methoxy-3-[(1-phenyl-5-propyl-pyrazol-4-yl)methylamino]benzoic acid Openeye Name: 4-methoxy-3-[(1-phenyl-5-propyl-pyrazol-4-yl)methylamino]benzoic acid CAS Name: 4-methoxy-3-[(1-phenyl-5-propyl-4-pyrazolyl)methylamino]benzoic acid IUPAC Name: 4-methoxy-3-[(1-phenyl-5-propylpyrazol-4-yl)methylamino]benzoic acid Traditional Name: 4-methoxy-3-[(1-phenyl-5-propyl-pyrazol-4-yl)methylamino]benzoic acid Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)CNC3=C(C=CC(=C3)C(=O)O)OC

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)CNC3=C(C=CC(=C3)C(=O)O)OC

InChI

InChI=1S/C21H23N3O3/c1-3-7-19-16(14-23-24(19)17-8-5-4-6-9-17)13-22-18-12-15(21(25)26)10-11-20(18)27-2/h4-6,8-12,14,22H,3,7,13H2,1-2H3,(H,25,26)