[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3,5-ditert-butylbenzoate

Systemtic Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3,5-ditert-butylbenzoate Openeye Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl] 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid [2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl] ester Formula: C26H35NO4 MolecularWeight: 425.5604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)OC)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)OC)C(C)(C)C

InChI

InChI=1S/C26H35NO4/c1-25(2,3)20-14-19(15-21(16-20)26(4,5)6)24(29)31-17-23(28)27-13-12-18-8-10-22(30-7)11-9-18/h8-11,14-16H,12-13,17H2,1-7H3,(H,27,28)