2-[[2-(5-cyano-2-phenylmethoxy-phenoxy)-6-[3-(3-ethoxy-3-oxidanylidene-propyl)-5-(1,2,3,4-tetrahydropyrimidin-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]amino]pentanedioic acid

Systemtic Name: 2-[[2-(5-cyano-2-phenylmethoxy-phenoxy)-6-[3-(3-ethoxy-3-oxidanylidene-propyl)-5-(1,2,3,4-tetrahydropyrimidin-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]amino]pentanedioic acid Openeye Name: 2-[[2-(2-benzyloxy-5-cyano-phenoxy)-6-[3-(3-ethoxy-3-oxo-propyl)-5-(1,2,3,4-tetrahydropyrimidin-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]amino]pentanedioic acid CAS Name: 2-[[2-(5-cyano-2-phenylmethoxyphenoxy)-6-[3-(3-ethoxy-3-oxopropyl)-5-(1,2,3,4-tetrahydropyrimidin-2-yl)phenoxy]-5-nitro-4-pyrimidinyl]amino]pentanedioic acid IUPAC Name: 2-[[2-(5-cyano-2-phenylmethoxyphenoxy)-6-[3-(3-ethoxy-3-oxopropyl)-5-(1,2,3,4-tetrahydropyrimidin-2-yl)phenoxy]-5-nitropyrimidin-4-yl]amino]pentanedioic acid Traditional Name: 2-[[2-(2-benzoxy-5-cyano-phenoxy)-6-[3-(3-ethoxy-3-keto-propyl)-5-(1,2,3,4-tetrahydropyrimidin-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]amino]glutaric acid Formula: C38H37N7O11 MolecularWeight: 767.74068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=CC(=C1)C2NCC=CN2)OC3=NC(=NC(=C3[N+](=O)[O-])NC(CCC(=O)O)C(=O)O)OC4=C(C=CC(=C4)C#N)OCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)CCC1=CC(=CC(=C1)C2NCC=CN2)OC3=NC(=NC(=C3[N+](=O)[O-])NC(CCC(=O)O)C(=O)O)OC4=C(C=CC(=C4)C#N)OCC5=CC=CC=C5

InChI

InChI=1S/C38H37N7O11/c1-2-53-32(48)14-10-24-17-26(34-40-15-6-16-41-34)20-27(18-24)55-36-33(45(51)52)35(42-28(37(49)50)11-13-31(46)47)43-38(44-36)56-30-19-25(21-39)9-12-29(30)54-22-23-7-4-3-5-8-23/h3-9,12,15,17-20,28,34,40-41H,2,10-11,13-14,16,22H2,1H3,(H,46,47)(H,49,50)(H,42,43,44)