[(E)-4-(tert-butylamino)-4-oxidanylidene-but-2-en-2-yl] 4-(4-ethanoyl-8-oxidanyl-tridecyl)benzoate

Systemtic Name: [(E)-4-(tert-butylamino)-4-oxidanylidene-but-2-en-2-yl] 4-(4-ethanoyl-8-oxidanyl-tridecyl)benzoate Openeye Name: [(E)-3-(tert-butylamino)-1-methyl-3-oxo-prop-1-enyl] 4-(4-acetyl-8-hydroxy-tridecyl)benzoate CAS Name: 4-(4-acetyl-8-hydroxytridecyl)benzoic acid [(E)-4-(tert-butylamino)-4-oxobut-2-en-2-yl] ester IUPAC Name: [(E)-4-(tert-butylamino)-4-oxobut-2-en-2-yl] 4-(4-acetyl-8-hydroxytridecyl)benzoate Traditional Name: 4-(4-acetyl-8-hydroxy-tridecyl)benzoic acid [(E)-3-(tert-butylamino)-3-keto-1-methyl-prop-1-enyl] ester Formula: C30H47NO5 MolecularWeight: 501.69788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC(CCCC1=CC=C(C=C1)C(=O)OC(=CC(=O)NC(C)(C)C)C)C(=O)C)O

Isomeric SMILES

CCCCCC(CCCC(CCCC1=CC=C(C=C1)C(=O)O/C(=C/C(=O)NC(C)(C)C)/C)C(=O)C)O

InChI

InChI=1S/C30H47NO5/c1-7-8-9-15-27(33)16-11-14-25(23(3)32)13-10-12-24-17-19-26(20-18-24)29(35)36-22(2)21-28(34)31-30(4,5)6/h17-21,25,27,33H,7-16H2,1-6H3,(H,31,34)/b22-21+