2-(carboxymethyloxy)-5-[3-oxidanylidene-3-(2-phenylmethoxyethylamino)-2-(pyrazin-2-ylcarbonylamino)propyl]benzoic acid

Systemtic Name: 2-(carboxymethyloxy)-5-[3-oxidanylidene-3-(2-phenylmethoxyethylamino)-2-(pyrazin-2-ylcarbonylamino)propyl]benzoic acid Openeye Name: 5-[3-(2-benzyloxyethylamino)-3-oxo-2-(pyrazine-2-carbonylamino)propyl]-2-(carboxymethyloxy)benzoic acid CAS Name: 2-(carboxymethyloxy)-5-[3-oxo-2-[[oxo(2-pyrazinyl)methyl]amino]-3-(2-phenylmethoxyethylamino)propyl]benzoic acid IUPAC Name: 2-(carboxymethyloxy)-5-[3-oxo-3-(2-phenylmethoxyethylamino)-2-(pyrazine-2-carbonylamino)propyl]benzoic acid Traditional Name: 5-[3-(2-benzoxyethylamino)-3-keto-2-(pyrazinoylamino)propyl]-2-(carboxymethyloxy)benzoic acid Formula: C26H26N4O8 MolecularWeight: 522.50664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCNC(=O)C(CC2=CC(=C(C=C2)OCC(=O)O)C(=O)O)NC(=O)C3=NC=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)COCCNC(=O)C(CC2=CC(=C(C=C2)OCC(=O)O)C(=O)O)NC(=O)C3=NC=CN=C3

InChI

InChI=1S/C26H26N4O8/c31-23(32)16-38-22-7-6-18(12-19(22)26(35)36)13-20(30-25(34)21-14-27-8-9-28-21)24(33)29-10-11-37-15-17-4-2-1-3-5-17/h1-9,12,14,20H,10-11,13,15-16H2,(H,29,33)(H,30,34)(H,31,32)(H,35,36)