5-[5-[(4-carboxyphenyl)methylcarbamoyl]-2-methyl-pyrazol-3-yl]-1H-indole-2-carboxylic acid

Systemtic Name: 5-[5-[(4-carboxyphenyl)methylcarbamoyl]-2-methyl-pyrazol-3-yl]-1H-indole-2-carboxylic acid Openeye Name: 5-[5-[(4-carboxyphenyl)methylcarbamoyl]-2-methyl-pyrazol-3-yl]-1H-indole-2-carboxylic acid CAS Name: 5-[5-[[(4-carboxyphenyl)methylamino]-oxomethyl]-2-methyl-3-pyrazolyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-[5-[(4-carboxyphenyl)methylcarbamoyl]-2-methylpyrazol-3-yl]-1H-indole-2-carboxylic acid Traditional Name: 5-[5-[(4-carboxybenzyl)carbamoyl]-2-methyl-pyrazol-3-yl]-1H-indole-2-carboxylic acid Formula: C22H18N4O5 MolecularWeight: 418.40212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C(=O)NCC2=CC=C(C=C2)C(=O)O)C3=CC4=C(C=C3)NC(=C4)C(=O)O

Isomeric SMILES

CN1C(=CC(=N1)C(=O)NCC2=CC=C(C=C2)C(=O)O)C3=CC4=C(C=C3)NC(=C4)C(=O)O

InChI

InChI=1S/C22H18N4O5/c1-26-19(14-6-7-16-15(8-14)9-18(24-16)22(30)31)10-17(25-26)20(27)23-11-12-2-4-13(5-3-12)21(28)29/h2-10,24H,11H2,1H3,(H,23,27)(H,28,29)(H,30,31)