2-[(5S)-5-(cycloheptylcarbamoyl)-3-[(E)-2-phenylethenyl]-4H-1,2-oxazol-5-yl]ethanoate

Systemtic Name: 2-[(5S)-5-(cycloheptylcarbamoyl)-3-[(E)-2-phenylethenyl]-4H-1,2-oxazol-5-yl]ethanoate Openeye Name: 2-[(5S)-5-(cycloheptylcarbamoyl)-3-[(E)-styryl]-4H-isoxazol-5-yl]acetate CAS Name: 2-[(5S)-5-[(cycloheptylamino)-oxomethyl]-3-[(E)-2-phenylethenyl]-4H-isoxazol-5-yl]acetate IUPAC Name: 2-[(5S)-5-(cycloheptylcarbamoyl)-3-[(E)-2-phenylethenyl]-4H-1,2-oxazol-5-yl]acetate Traditional Name: 2-[(5S)-5-(cycloheptylcarbamoyl)-3-[(E)-styryl]-2-isoxazolin-5-yl]acetate Formula: C21H25N2O4- MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2(CC(=NO2)C=CC3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC(=O)[C@]2(CC(=NO2)/C=C/C3=CC=CC=C3)CC(=O)[O-]

InChI

InChI=1S/C21H26N2O4/c24-19(25)15-21(20(26)22-17-10-6-1-2-7-11-17)14-18(23-27-21)13-12-16-8-4-3-5-9-16/h3-5,8-9,12-13,17H,1-2,6-7,10-11,14-15H2,(H,22,26)(H,24,25)/p-1/b13-12+/t21-/m0/s1