3-tert-butyloctan-2-yl 3-[(3E)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoate

Systemtic Name: 3-tert-butyloctan-2-yl 3-[(3E)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoate Openeye Name: (2-tert-butyl-1-methyl-heptyl) 3-[(3E)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]propanoate CAS Name: 3-[(3E)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]propanoic acid 3-tert-butyloctan-2-yl ester IUPAC Name: 3-tert-butyloctan-2-yl 3-[(3E)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]propanoate Traditional Name: 3-[(3E)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]propionic acid (2-tert-butyl-1-methyl-heptyl) ester Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C)OC(=O)CCC1=CC(=C2C=CC=C3C2=NNN3)C(=O)C=C1)C(C)(C)C

Isomeric SMILES

CCCCCC(C(C)OC(=O)CCC1=C/C(=C\2/C=CC=C3C2=NNN3)/C(=O)C=C1)C(C)(C)C

InChI

InChI=1S/C27H37N3O3/c1-6-7-8-11-22(27(3,4)5)18(2)33-25(32)16-14-19-13-15-24(31)21(17-19)20-10-9-12-23-26(20)29-30-28-23/h9-10,12-13,15,17-18,22,28,30H,6-8,11,14,16H2,1-5H3/b21-20+