tert-butyl 3-[(3Z)-4-cyano-8-methyl-13-oxidanylidene-trideca-3,7-dienyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(3Z)-4-cyano-8-methyl-13-oxidanylidene-trideca-3,7-dienyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(3Z)-4-cyano-8-methyl-13-oxo-trideca-3,7-dienyl]indole-1-carboxylate CAS Name: 3-[(3Z)-4-cyano-8-methyl-13-oxotrideca-3,7-dienyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(3Z)-4-cyano-8-methyl-13-oxotrideca-3,7-dienyl]indole-1-carboxylate Traditional Name: 3-[(3Z)-4-cyano-13-keto-8-methyl-trideca-3,7-dienyl]indole-1-carboxylic acid tert-butyl ester Formula: C28H36N2O3 MolecularWeight: 448.59704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)C#N)CCCCC=O

Isomeric SMILES

CC(=CCC/C(=C/CCC1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)/C#N)CCCCC=O

InChI

InChI=1S/C28H36N2O3/c1-22(12-6-5-9-19-31)13-10-14-23(20-29)15-11-16-24-21-30(27(32)33-28(2,3)4)26-18-8-7-17-25(24)26/h7-8,13,15,17-19,21H,5-6,9-12,14,16H2,1-4H3/b22-13?,23-15-