5-[[4-[(3,4-diethoxyphenyl)methoxy]phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[[4-[(3,4-diethoxyphenyl)methoxy]phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[[4-[(3,4-diethoxyphenyl)methoxy]phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[4-[(3,4-diethoxyphenyl)methoxy]anilino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[[4-[(3,4-diethoxyphenyl)methoxy]phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[[4-(3,4-diethoxybenzyl)oxyphenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)COC2=CC=C(C=C2)NC(=O)C3=C(C=NN3C)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)COC2=CC=C(C=C2)NC(=O)C3=C(C=NN3C)C(=O)O)OCC

InChI

InChI=1S/C23H25N3O6/c1-4-30-19-11-6-15(12-20(19)31-5-2)14-32-17-9-7-16(8-10-17)25-22(27)21-18(23(28)29)13-24-26(21)3/h6-13H,4-5,14H2,1-3H3,(H,25,27)(H,28,29)