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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate CAS Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate Traditional Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C25H33NO4/c1-18(2)14-15-26-23(27)17-30-24(28)20-8-6-19(7-9-20)16-29-22-12-10-21(11-13-22)25(3,4)5/h6-13,18H,14-17H2,1-5H3,(H,26,27)