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

Systemtic Name: 3-[[3-(ethoxymethyl)-4-methoxy-phenyl]methylamino]-1H-pyrazole-5-carboxylic acid Openeye Name: 3-[[3-(ethoxymethyl)-4-methoxy-phenyl]methylamino]-1H-pyrazole-5-carboxylic acid CAS Name: 3-[[3-(ethoxymethyl)-4-methoxyphenyl]methylamino]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-[[3-(ethoxymethyl)-4-methoxyphenyl]methylamino]-1H-pyrazole-5-carboxylic acid Traditional Name: 3-[[3-(ethoxymethyl)-4-methoxy-benzyl]amino]-1H-pyrazole-5-carboxylic acid Formula: C15H19N3O4 MolecularWeight: 305.32906

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)CNC2=NNC(=C2)C(=O)O)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)CNC2=NNC(=C2)C(=O)O)OC

InChI

InChI=1S/C15H19N3O4/c1-3-22-9-11-6-10(4-5-13(11)21-2)8-16-14-7-12(15(19)20)17-18-14/h4-7H,3,8-9H2,1-2H3,(H,19,20)(H2,16,17,18)