methyl 3-[[[4-(butanoylamino)phenyl]carbonylamino]carbamoyl]benzoate

Systemtic Name: methyl 3-[[[4-(butanoylamino)phenyl]carbonylamino]carbamoyl]benzoate Openeye Name: methyl 3-[[[4-(butanoylamino)benzoyl]amino]carbamoyl]benzoate CAS Name: 3-[oxo-[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[4-(butanoylamino)benzoyl]amino]carbamoyl]benzoate Traditional Name: 3-[[(4-butyramidobenzoyl)amino]carbamoyl]benzoic acid methyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C20H21N3O5/c1-3-5-17(24)21-16-10-8-13(9-11-16)18(25)22-23-19(26)14-6-4-7-15(12-14)20(27)28-2/h4,6-12H,3,5H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)