5-[(3-cyclopentyloxy-4-methoxy-phenyl)methylamino]-1H-pyrazole-4-carboxylic acid

Systemtic Name: 5-[(3-cyclopentyloxy-4-methoxy-phenyl)methylamino]-1H-pyrazole-4-carboxylic acid Openeye Name: 5-[[3-(cyclopentoxy)-4-methoxy-phenyl]methylamino]-1H-pyrazole-4-carboxylic acid CAS Name: 5-[(3-cyclopentyloxy-4-methoxyphenyl)methylamino]-1H-pyrazole-4-carboxylic acid IUPAC Name: 5-[(3-cyclopentyloxy-4-methoxyphenyl)methylamino]-1H-pyrazole-4-carboxylic acid Traditional Name: 5-[[3-(cyclopentoxy)-4-methoxy-benzyl]amino]-1H-pyrazole-4-carboxylic acid Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C=NN2)C(=O)O)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C=NN2)C(=O)O)OC3CCCC3

InChI

InChI=1S/C17H21N3O4/c1-23-14-7-6-11(8-15(14)24-12-4-2-3-5-12)9-18-16-13(17(21)22)10-19-20-16/h6-8,10,12H,2-5,9H2,1H3,(H,21,22)(H2,18,19,20)