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

Systemtic Name: (E)-3-(cyclopropylmethylcarbamoyl)-2-(1,3-oxazol-2-yl)-2-phenyl-7-pyridin-3-yl-hept-6-enoic acid Openeye Name: (E)-3-(cyclopropylmethylcarbamoyl)-2-oxazol-2-yl-2-phenyl-7-(3-pyridyl)hept-6-enoic acid CAS Name: (E)-3-[(cyclopropylmethylamino)-oxomethyl]-2-(2-oxazolyl)-2-phenyl-7-(3-pyridinyl)-6-heptenoic acid IUPAC Name: (E)-3-(cyclopropylmethylcarbamoyl)-2-(1,3-oxazol-2-yl)-2-phenyl-7-pyridin-3-ylhept-6-enoic acid Traditional Name: (E)-3-(cyclopropylmethylcarbamoyl)-2-oxazol-2-yl-2-phenyl-7-(3-pyridyl)hept-6-enoic acid Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC(=O)C(CCC=CC2=CN=CC=C2)C(C3=CC=CC=C3)(C4=NC=CO4)C(=O)O

Isomeric SMILES

C1CC1CNC(=O)C(CC/C=C/C2=CN=CC=C2)C(C3=CC=CC=C3)(C4=NC=CO4)C(=O)O

InChI

InChI=1S/C26H27N3O4/c30-23(29-18-20-12-13-20)22(11-5-4-7-19-8-6-14-27-17-19)26(25(31)32,24-28-15-16-33-24)21-9-2-1-3-10-21/h1-4,6-10,14-17,20,22H,5,11-13,18H2,(H,29,30)(H,31,32)/b7-4+