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

Systemtic Name: methyl 4-methyl-3-[[4-(3-methylbutanoylamino)phenyl]carbonylamino]benzoate Openeye Name: methyl 4-methyl-3-[[4-(3-methylbutanoylamino)benzoyl]amino]benzoate CAS Name: 4-methyl-3-[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[4-(3-methylbutanoylamino)benzoyl]amino]benzoate Traditional Name: 3-[[4-(isovalerylamino)benzoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

InChI

InChI=1S/C21H24N2O4/c1-13(2)11-19(24)22-17-9-7-15(8-10-17)20(25)23-18-12-16(21(26)27-4)6-5-14(18)3/h5-10,12-13H,11H2,1-4H3,(H,22,24)(H,23,25)