3-[3-chloranyl-6-oxidanylidene-1-(2-oxidanylidene-2-phenylmethoxy-ethyl)-5-(propan-2-ylamino)pyrazin-2-yl]benzoic acid

Systemtic Name: 3-[3-chloranyl-6-oxidanylidene-1-(2-oxidanylidene-2-phenylmethoxy-ethyl)-5-(propan-2-ylamino)pyrazin-2-yl]benzoic acid Openeye Name: 3-[1-(2-benzyloxy-2-oxo-ethyl)-3-chloro-5-(isopropylamino)-6-oxo-pyrazin-2-yl]benzoic acid CAS Name: 3-[3-chloro-6-oxo-1-(2-oxo-2-phenylmethoxyethyl)-5-(propan-2-ylamino)-2-pyrazinyl]benzoic acid IUPAC Name: 3-[3-chloro-6-oxo-1-(2-oxo-2-phenylmethoxyethyl)-5-(propan-2-ylamino)pyrazin-2-yl]benzoic acid Traditional Name: 3-[1-(2-benzoxy-2-keto-ethyl)-3-chloro-5-(isopropylamino)-6-keto-pyrazin-2-yl]benzoic acid Formula: C23H22ClN3O5 MolecularWeight: 455.89088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=C(N(C1=O)CC(=O)OCC2=CC=CC=C2)C3=CC(=CC=C3)C(=O)O)Cl

Isomeric SMILES

CC(C)NC1=NC(=C(N(C1=O)CC(=O)OCC2=CC=CC=C2)C3=CC(=CC=C3)C(=O)O)Cl

InChI

InChI=1S/C23H22ClN3O5/c1-14(2)25-21-22(29)27(12-18(28)32-13-15-7-4-3-5-8-15)19(20(24)26-21)16-9-6-10-17(11-16)23(30)31/h3-11,14H,12-13H2,1-2H3,(H,25,26)(H,30,31)