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

Systemtic Name: 4-[[3-(ethoxymethyl)-4-methoxy-phenyl]methylamino]-1-methyl-pyrazole-3-carboxylic acid Openeye Name: 4-[[3-(ethoxymethyl)-4-methoxy-phenyl]methylamino]-1-methyl-pyrazole-3-carboxylic acid CAS Name: 4-[[3-(ethoxymethyl)-4-methoxyphenyl]methylamino]-1-methyl-3-pyrazolecarboxylic acid IUPAC Name: 4-[[3-(ethoxymethyl)-4-methoxyphenyl]methylamino]-1-methylpyrazole-3-carboxylic acid Traditional Name: 4-[[3-(ethoxymethyl)-4-methoxy-benzyl]amino]-1-methyl-pyrazole-3-carboxylic acid Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)CNC2=CN(N=C2C(=O)O)C)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)CNC2=CN(N=C2C(=O)O)C)OC

InChI

InChI=1S/C16H21N3O4/c1-4-23-10-12-7-11(5-6-14(12)22-3)8-17-13-9-19(2)18-15(13)16(20)21/h5-7,9,17H,4,8,10H2,1-3H3,(H,20,21)