[1-oxidanylidene-1-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 4-butoxybenzoate

Systemtic Name: [1-oxidanylidene-1-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 4-butoxybenzoate Openeye Name: [1-methyl-2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-keto-2-[(2-keto-1,3-dihydrobenzimidazol-5-yl)amino]-1-methyl-ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)NC(=O)N3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)NC(=O)N3

InChI

InChI=1S/C21H23N3O5/c1-3-4-11-28-16-8-5-14(6-9-16)20(26)29-13(2)19(25)22-15-7-10-17-18(12-15)24-21(27)23-17/h5-10,12-13H,3-4,11H2,1-2H3,(H,22,25)(H2,23,24,27)