1-ethyl-4-[[4-methoxy-3-(methoxymethyl)phenyl]methylamino]pyrazole-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)O)NCC2=CC(=C(C=C2)OC)COC

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)O)NCC2=CC(=C(C=C2)OC)COC

InChI

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