[(3S,4S)-4-benzamido-5-cyclohexyl-pent-1-en-3-yl] ethanoate

Systemtic Name: [(3S,4S)-4-benzamido-5-cyclohexyl-pent-1-en-3-yl] ethanoate Openeye Name: [(1S)-1-[(1S)-1-benzamido-2-cyclohexyl-ethyl]allyl] acetate CAS Name: acetic acid [(3S,4S)-4-benzamido-5-cyclohexylpent-1-en-3-yl] ester IUPAC Name: [(3S,4S)-4-benzamido-5-cyclohexylpent-1-en-3-yl] acetate Traditional Name: acetic acid [(1S)-1-[(1S)-1-benzamido-2-cyclohexyl-ethyl]allyl] ester Formula: C20H27NO3 MolecularWeight: 329.43328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C=C)C(CC1CCCCC1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)O[C@@H](C=C)[C@H](CC1CCCCC1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H27NO3/c1-3-19(24-15(2)22)18(14-16-10-6-4-7-11-16)21-20(23)17-12-8-5-9-13-17/h3,5,8-9,12-13,16,18-19H,1,4,6-7,10-11,14H2,2H3,(H,21,23)/t18-,19-/m0/s1