propan-2-yl (E)-3-[3-(1-azido-2-methyl-octan-2-yl)oxy-5-chloranyl-4-cyano-phenyl]prop-2-enoate

Systemtic Name: propan-2-yl (E)-3-[3-(1-azido-2-methyl-octan-2-yl)oxy-5-chloranyl-4-cyano-phenyl]prop-2-enoate Openeye Name: isopropyl (E)-3-[3-[1-(azidomethyl)-1-methyl-heptoxy]-5-chloro-4-cyano-phenyl]prop-2-enoate CAS Name: (E)-3-[3-(1-azido-2-methyloctan-2-yl)oxy-5-chloro-4-cyanophenyl]-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-3-[3-(1-azido-2-methyloctan-2-yl)oxy-5-chloro-4-cyanophenyl]prop-2-enoate Traditional Name: (E)-3-[3-[1-(azidomethyl)-1-methyl-heptoxy]-5-chloro-4-cyano-phenyl]acrylic acid isopropyl ester Formula: C22H29ClN4O3 MolecularWeight: 432.94366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(CN=[N+]=[N-])OC1=C(C(=CC(=C1)C=CC(=O)OC(C)C)Cl)C#N

Isomeric SMILES

CCCCCCC(C)(CN=[N+]=[N-])OC1=C(C(=CC(=C1)/C=C/C(=O)OC(C)C)Cl)C#N

InChI

InChI=1S/C22H29ClN4O3/c1-5-6-7-8-11-22(4,15-26-27-25)30-20-13-17(12-19(23)18(20)14-24)9-10-21(28)29-16(2)3/h9-10,12-13,16H,5-8,11,15H2,1-4H3/b10-9+