[1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(butylamino)benzoate

Systemtic Name: [1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(butylamino)benzoate Openeye Name: [2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] 2-(butylamino)benzoate CAS Name: 2-(butylamino)benzoic acid [1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(butylamino)benzoate Traditional Name: 2-(butylamino)benzoic acid [2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C21H25N3O4/c1-3-4-13-23-18-8-6-5-7-17(18)21(27)28-14(2)20(26)24-16-11-9-15(10-12-16)19(22)25/h5-12,14,23H,3-4,13H2,1-2H3,(H2,22,25)(H,24,26)