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

Systemtic Name: (E)-3-(3-ethoxypropylcarbamoyl)-2-(1,3-oxazol-2-yl)-2-phenyl-7-pyridin-3-yl-hept-6-enoic acid Openeye Name: (E)-3-(3-ethoxypropylcarbamoyl)-2-oxazol-2-yl-2-phenyl-7-(3-pyridyl)hept-6-enoic acid CAS Name: (E)-3-[(3-ethoxypropylamino)-oxomethyl]-2-(2-oxazolyl)-2-phenyl-7-(3-pyridinyl)-6-heptenoic acid IUPAC Name: (E)-3-(3-ethoxypropylcarbamoyl)-2-(1,3-oxazol-2-yl)-2-phenyl-7-pyridin-3-ylhept-6-enoic acid Traditional Name: (E)-3-(3-ethoxypropylcarbamoyl)-2-oxazol-2-yl-2-phenyl-7-(3-pyridyl)hept-6-enoic acid Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C(CCC=CC1=CN=CC=C1)C(C2=CC=CC=C2)(C3=NC=CO3)C(=O)O

Isomeric SMILES

CCOCCCNC(=O)C(CC/C=C/C1=CN=CC=C1)C(C2=CC=CC=C2)(C3=NC=CO3)C(=O)O

InChI

InChI=1S/C27H31N3O5/c1-2-34-18-9-16-29-24(31)23(14-7-6-10-21-11-8-15-28-20-21)27(26(32)33,25-30-17-19-35-25)22-12-4-3-5-13-22/h3-6,8,10-13,15,17,19-20,23H,2,7,9,14,16,18H2,1H3,(H,29,31)(H,32,33)/b10-6+