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

Systemtic Name: [[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-phenyl-methyl]amino] octanoate Openeye Name: [[(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-phenyl-methyl]amino] octanoate CAS Name: octanoic 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] octanoate Traditional Name: caprylic acid [[(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-phenyl-methyl]amino] ester Formula: C29H41NO3 MolecularWeight: 451.64074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H41NO3/c1-8-9-10-11-15-18-25(31)33-30-26(21-16-13-12-14-17-21)22-19-23(28(2,3)4)27(32)24(20-22)29(5,6)7/h12-14,16-17,19-20,30H,8-11,15,18H2,1-7H3