[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-phenylmethoxybenzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-phenylmethoxybenzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 4-benzyloxybenzoate CAS Name: 4-phenylmethoxybenzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 4-phenylmethoxybenzoate Traditional Name: 4-benzoxybenzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO4/c1-16(2)12-13-22-20(23)15-26-21(24)18-8-10-19(11-9-18)25-14-17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,22,23)