4-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[4-(3-methylbutanoylamino)benzoyl]amino]methyl]benzoic acid CAS Name: 4-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-(3-methylbutanoylamino)benzoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[4-(isovalerylamino)benzoyl]amino]methyl]benzoic acid 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)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C20H22N2O4/c1-13(2)11-18(23)22-17-9-7-15(8-10-17)19(24)21-12-14-3-5-16(6-4-14)20(25)26/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)