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

Systemtic Name: 6-methylheptyl 3-[(3Z)-5-tert-butyl-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoate Openeye Name: 6-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 6-methylheptyl ester IUPAC Name: 6-methylheptyl 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 6-methylheptyl ester Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)CCC1=CC(=C2C=CC=C3C2=NNN3)C(=O)C(=C1)C(C)(C)C

Isomeric SMILES

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

InChI

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