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

Systemtic Name: methyl 3-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamoyl]benzoate Openeye Name: methyl 3-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamoyl]benzoate CAS Name: 3-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamoyl]benzoate Traditional Name: 3-[[[4-(isovalerylamino)benzoyl]amino]carbamoyl]benzoic acid methyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-13(2)11-18(25)22-17-9-7-14(8-10-17)19(26)23-24-20(27)15-5-4-6-16(12-15)21(28)29-3/h4-10,12-13H,11H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)