[[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-phenyl-methyl]amino] butanoate

Systemtic Name: [[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-phenyl-methyl]amino] butanoate Openeye Name: [[(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-phenyl-methyl]amino] butanoate CAS Name: butanoic acid [[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-phenylmethyl]amino] ester IUPAC Name: [[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-phenylmethyl]amino] butanoate Traditional Name: butyric acid [[(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-phenyl-methyl]amino] ester Formula: C25H33NO3 MolecularWeight: 395.53442

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)ONC(=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)C2=CC=CC=C2

Isomeric SMILES

CCCC(=O)ONC(=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)C2=CC=CC=C2

InChI

InChI=1S/C25H33NO3/c1-8-12-21(27)29-26-22(17-13-10-9-11-14-17)18-15-19(24(2,3)4)23(28)20(16-18)25(5,6)7/h9-11,13-16,26H,8,12H2,1-7H3