5-[[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[1-(2-chlorobenzyl)pyrazole-4-carbonyl]amino]methyl]-2-methoxy-benzoic acid Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl)C(=O)O

InChI

InChI=1S/C20H18ClN3O4/c1-28-18-7-6-13(8-16(18)20(26)27)9-22-19(25)15-10-23-24(12-15)11-14-4-2-3-5-17(14)21/h2-8,10,12H,9,11H2,1H3,(H,22,25)(H,26,27)