3-[2-(5-cyano-2-phenylmethoxy-phenoxy)-4-[3-(3-ethoxy-3-oxidanylidene-propyl)-5-(1,2,3,4-tetrahydropyrimidin-2-yl)phenoxy]-6-oxidanylidene-7,8-dihydro-5H-pteridin-7-yl]propanoic acid

Systemtic Name: 3-[2-(5-cyano-2-phenylmethoxy-phenoxy)-4-[3-(3-ethoxy-3-oxidanylidene-propyl)-5-(1,2,3,4-tetrahydropyrimidin-2-yl)phenoxy]-6-oxidanylidene-7,8-dihydro-5H-pteridin-7-yl]propanoic acid Openeye Name: 3-[2-(2-benzyloxy-5-cyano-phenoxy)-4-[3-(3-ethoxy-3-oxo-propyl)-5-(1,2,3,4-tetrahydropyrimidin-2-yl)phenoxy]-6-oxo-7,8-dihydro-5H-pteridin-7-yl]propanoic acid CAS Name: 3-[2-(5-cyano-2-phenylmethoxyphenoxy)-4-[3-(3-ethoxy-3-oxopropyl)-5-(1,2,3,4-tetrahydropyrimidin-2-yl)phenoxy]-6-oxo-7,8-dihydro-5H-pteridin-7-yl]propanoic acid IUPAC Name: 3-[2-(5-cyano-2-phenylmethoxyphenoxy)-4-[3-(3-ethoxy-3-oxopropyl)-5-(1,2,3,4-tetrahydropyrimidin-2-yl)phenoxy]-6-oxo-7,8-dihydro-5H-pteridin-7-yl]propanoic acid Traditional Name: 3-[2-(2-benzoxy-5-cyano-phenoxy)-4-[3-(3-ethoxy-3-keto-propyl)-5-(1,2,3,4-tetrahydropyrimidin-2-yl)phenoxy]-6-keto-7,8-dihydro-5H-pteridin-7-yl]propionic acid Formula: C38H37N7O8 MolecularWeight: 719.74248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=CC(=C1)C2NCC=CN2)OC3=NC(=NC4=C3NC(=O)C(N4)CCC(=O)O)OC5=C(C=CC(=C5)C#N)OCC6=CC=CC=C6

Isomeric SMILES

CCOC(=O)CCC1=CC(=CC(=C1)C2NCC=CN2)OC3=NC(=NC4=C3NC(=O)C(N4)CCC(=O)O)OC5=C(C=CC(=C5)C#N)OCC6=CC=CC=C6

InChI

InChI=1S/C38H37N7O8/c1-2-50-32(48)14-10-24-17-26(34-40-15-6-16-41-34)20-27(18-24)52-37-33-35(42-28(36(49)43-33)11-13-31(46)47)44-38(45-37)53-30-19-25(21-39)9-12-29(30)51-22-23-7-4-3-5-8-23/h3-9,12,15,17-20,28,34,40-41H,2,10-11,13-14,16,22H2,1H3,(H,43,49)(H,46,47)(H,42,44,45)