octan-2-yl 3-[(3Z)-5-tert-butyl-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O3/c1-6-7-8-9-11-18(2)33-24(31)15-14-19-16-21(26(32)22(17-19)27(3,4)5)20-12-10-13-23-25(20)29-30-28-23/h10,12-13,16-18,28,30H,6-9,11,14-15H2,1-5H3/b21-20-