(3S)-3-[(E,1S)-1-(benzotriazol-1-yl)-3-ethoxy-prop-2-enyl]cyclohexan-1-one

Systemtic Name: (3S)-3-[(E,1S)-1-(benzotriazol-1-yl)-3-ethoxy-prop-2-enyl]cyclohexan-1-one Openeye Name: (3S)-3-[(E,1S)-1-(benzotriazol-1-yl)-3-ethoxy-allyl]cyclohexanone CAS Name: (3S)-3-[(E,1S)-1-(1-benzotriazolyl)-3-ethoxyprop-2-enyl]-1-cyclohexanone IUPAC Name: (3S)-3-[(E,1S)-1-(benzotriazol-1-yl)-3-ethoxyprop-2-enyl]cyclohexan-1-one Traditional Name: (3S)-3-[(E,1S)-1-(benzotriazol-1-yl)-3-ethoxy-allyl]cyclohexanone Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC=CC(C1CCCC(=O)C1)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CCO/C=C/[C@H]([C@H]1CCCC(=O)C1)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H21N3O2/c1-2-22-11-10-16(13-6-5-7-14(21)12-13)20-17-9-4-3-8-15(17)18-19-20/h3-4,8-11,13,16H,2,5-7,12H2,1H3/b11-10+/t13-,16+/m0/s1