[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate CAS Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate Traditional Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C25H33NO4/c1-6-21(7-2)26-23(27)17-30-24(28)19-10-8-18(9-11-19)16-29-22-14-12-20(13-15-22)25(3,4)5/h8-15,21H,6-7,16-17H2,1-5H3,(H,26,27)