[(E,2S)-4-(cyclohexen-1-yl)-2-(phenylmethoxycarbonylamino)but-3-enyl] ethanoate

Systemtic Name: [(E,2S)-4-(cyclohexen-1-yl)-2-(phenylmethoxycarbonylamino)but-3-enyl] ethanoate Openeye Name: [(E,2S)-2-(benzyloxycarbonylamino)-4-(cyclohexen-1-yl)but-3-enyl] acetate CAS Name: acetic acid [(E,2S)-4-(1-cyclohexenyl)-2-(phenylmethoxycarbonylamino)but-3-enyl] ester IUPAC Name: [(E,2S)-4-(cyclohexen-1-yl)-2-(phenylmethoxycarbonylamino)but-3-enyl] acetate Traditional Name: acetic acid [(E,2S)-2-(benzyloxycarbonylamino)-4-(cyclohexen-1-yl)but-3-enyl] ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C=CC1=CCCCC1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)OC[C@H](/C=C/C1=CCCCC1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H25NO4/c1-16(22)24-15-19(13-12-17-8-4-2-5-9-17)21-20(23)25-14-18-10-6-3-7-11-18/h3,6-8,10-13,19H,2,4-5,9,14-15H2,1H3,(H,21,23)/b13-12+/t19-/m0/s1