[2-(4-butylphenyl)-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)carbonylamino]ethanoate

Systemtic Name: [2-(4-butylphenyl)-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)carbonylamino]ethanoate Openeye Name: [2-(4-butylphenyl)-2-oxo-ethyl] 2-[(3-methylbenzoyl)amino]acetate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]acetic acid [2-(4-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butylphenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate Traditional Name: 2-(m-toluoylamino)acetic acid [2-(4-butylphenyl)-2-keto-ethyl] ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C22H25NO4/c1-3-4-7-17-9-11-18(12-10-17)20(24)15-27-21(25)14-23-22(26)19-8-5-6-16(2)13-19/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,23,26)