[2-[(3,5-diaminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-butylbenzoate

Systemtic Name: [2-[(3,5-diaminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-butylbenzoate Openeye Name: [2-(3,5-dicarbamoylanilino)-2-oxo-ethyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [2-(3,5-dicarbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [2-(3,5-dicarbamoylanilino)-2-keto-ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N

InChI

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