3-[4-[[4-(3-methylbutanoylamino)phenyl]carbonylamino]phenyl]propanoate

Systemtic Name: 3-[4-[[4-(3-methylbutanoylamino)phenyl]carbonylamino]phenyl]propanoate Openeye Name: 3-[4-[[4-(3-methylbutanoylamino)benzoyl]amino]phenyl]propanoate CAS Name: 3-[4-[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]amino]phenyl]propanoate IUPAC Name: 3-[4-[[4-(3-methylbutanoylamino)benzoyl]amino]phenyl]propanoate Traditional Name: 3-[4-[[4-(isovalerylamino)benzoyl]amino]phenyl]propionate Formula: C21H23N2O4- MolecularWeight: 367.41832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CCC(=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CCC(=O)[O-]

InChI

InChI=1S/C21H24N2O4/c1-14(2)13-19(24)22-17-10-6-16(7-11-17)21(27)23-18-8-3-15(4-9-18)5-12-20(25)26/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,22,24)(H,23,27)(H,25,26)/p-1