(E)-3-(3-morpholin-4-ylpropylcarbamoyl)-2-(1,3-oxazol-2-yl)-2-phenyl-7-pyridin-3-yl-hept-6-enoic acid

Systemtic Name: (E)-3-(3-morpholin-4-ylpropylcarbamoyl)-2-(1,3-oxazol-2-yl)-2-phenyl-7-pyridin-3-yl-hept-6-enoic acid Openeye Name: (E)-3-(3-morpholinopropylcarbamoyl)-2-oxazol-2-yl-2-phenyl-7-(3-pyridyl)hept-6-enoic acid CAS Name: (E)-3-[[3-(4-morpholinyl)propylamino]-oxomethyl]-2-(2-oxazolyl)-2-phenyl-7-(3-pyridinyl)-6-heptenoic acid IUPAC Name: (E)-3-(3-morpholin-4-ylpropylcarbamoyl)-2-(1,3-oxazol-2-yl)-2-phenyl-7-pyridin-3-ylhept-6-enoic acid Traditional Name: (E)-3-(3-morpholinopropylcarbamoyl)-2-oxazol-2-yl-2-phenyl-7-(3-pyridyl)hept-6-enoic acid Formula: C29H34N4O5 MolecularWeight: 518.60406

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)C(CCC=CC2=CN=CC=C2)C(C3=CC=CC=C3)(C4=NC=CO4)C(=O)O

Isomeric SMILES

C1COCCN1CCCNC(=O)C(CC/C=C/C2=CN=CC=C2)C(C3=CC=CC=C3)(C4=NC=CO4)C(=O)O

InChI

InChI=1S/C29H34N4O5/c34-26(31-14-7-16-33-17-20-37-21-18-33)25(12-5-4-8-23-9-6-13-30-22-23)29(28(35)36,27-32-15-19-38-27)24-10-2-1-3-11-24/h1-4,6,8-11,13,15,19,22,25H,5,7,12,14,16-18,20-21H2,(H,31,34)(H,35,36)/b8-4+