[(E,2S)-2-azido-4-[(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]but-3-enyl]benzene

Systemtic Name: [(E,2S)-2-azido-4-[(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]but-3-enyl]benzene Openeye Name: [(E,2S)-2-azido-4-[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]but-3-enyl]benzene CAS Name: [(E,2S)-2-azido-4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-3-enyl]benzene IUPAC Name: [(E,2S)-2-azido-4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-3-enyl]benzene Traditional Name: [(E,2S)-2-azido-4-[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]but-3-enyl]benzene Formula: C20H29N3 MolecularWeight: 311.46436

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C=CC(CC2=CC=CC=C2)N=[N+]=[N-])C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)/C=C/[C@H](CC2=CC=CC=C2)N=[N+]=[N-])C(C)C

InChI

InChI=1S/C20H29N3/c1-15(2)20-12-9-16(3)13-18(20)10-11-19(22-23-21)14-17-7-5-4-6-8-17/h4-8,10-11,15-16,18-20H,9,12-14H2,1-3H3/b11-10+/t16-,18-,19-,20+/m1/s1