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

Systemtic Name: methyl 3-[[4-(3-methylbutanoylamino)phenyl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-(3-methylbutanoylamino)benzoyl]amino]benzoate CAS Name: 3-[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(3-methylbutanoylamino)benzoyl]amino]benzoate Traditional Name: 3-[[4-(isovalerylamino)benzoyl]amino]benzoic acid methyl ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C20H22N2O4/c1-13(2)11-18(23)21-16-9-7-14(8-10-16)19(24)22-17-6-4-5-15(12-17)20(25)26-3/h4-10,12-13H,11H2,1-3H3,(H,21,23)(H,22,24)