6-[[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]methylidene]-2-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]methylidene]-2-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]methylene]-2-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]methylidene]-2-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]methylidene]-2-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]methylene]-2-methoxy-cyclohexa-2,4-dien-1-one Formula: C16H23NO2 MolecularWeight: 261.35932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC=C2C=CC=C(C2=O)OC

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)NC=C2C=CC=C(C2=O)OC

InChI

InChI=1S/C16H23NO2/c1-11-6-4-8-14(12(11)2)17-10-13-7-5-9-15(19-3)16(13)18/h5,7,9-12,14,17H,4,6,8H2,1-3H3/t11-,12+,14+/m0/s1