phenyl (E)-2-(4-cyclohexylbutylcarbamoyl)-2-(1,3-oxazol-2-yl)-6-pyridin-3-yl-hex-5-enoate

Systemtic Name: phenyl (E)-2-(4-cyclohexylbutylcarbamoyl)-2-(1,3-oxazol-2-yl)-6-pyridin-3-yl-hex-5-enoate Openeye Name: phenyl (E)-2-(4-cyclohexylbutylcarbamoyl)-2-oxazol-2-yl-6-(3-pyridyl)hex-5-enoate CAS Name: (E)-2-[(4-cyclohexylbutylamino)-oxomethyl]-2-(2-oxazolyl)-6-(3-pyridinyl)-5-hexenoic acid phenyl ester IUPAC Name: phenyl (E)-2-(4-cyclohexylbutylcarbamoyl)-2-(1,3-oxazol-2-yl)-6-pyridin-3-ylhex-5-enoate Traditional Name: (E)-2-(4-cyclohexylbutylcarbamoyl)-2-oxazol-2-yl-6-(3-pyridyl)hex-5-enoic acid phenyl ester Formula: C31H37N3O4 MolecularWeight: 515.64318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCCNC(=O)C(CCC=CC2=CN=CC=C2)(C3=NC=CO3)C(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)CCCCNC(=O)C(CC/C=C/C2=CN=CC=C2)(C3=NC=CO3)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C31H37N3O4/c35-28(33-21-10-8-14-25-12-3-1-4-13-25)31(29-34-22-23-37-29,30(36)38-27-17-5-2-6-18-27)19-9-7-15-26-16-11-20-32-24-26/h2,5-7,11,15-18,20,22-25H,1,3-4,8-10,12-14,19,21H2,(H,33,35)/b15-7+