4-[[[6-[(4-carboxyphenyl)methylcarbamoyl]pyrimidin-4-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[6-[(4-carboxyphenyl)methylcarbamoyl]pyrimidin-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[6-[(4-carboxyphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[6-[[(4-carboxyphenyl)methylamino]-oxomethyl]-4-pyrimidinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[6-[(4-carboxyphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[6-[(4-carboxybenzyl)carbamoyl]pyrimidine-4-carbonyl]amino]methyl]benzoic acid Formula: C22H18N4O6 MolecularWeight: 434.40152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CC(=NC=N2)C(=O)NCC3=CC=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC(=NC=N2)C(=O)NCC3=CC=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H18N4O6/c27-19(23-10-13-1-5-15(6-2-13)21(29)30)17-9-18(26-12-25-17)20(28)24-11-14-3-7-16(8-4-14)22(31)32/h1-9,12H,10-11H2,(H,23,27)(H,24,28)(H,29,30)(H,31,32)