2-[[2-methyl-3-oxidanylidene-3-[(phenylmethyl)amino]propanoyl]amino]benzoic acid

Systemtic Name: 2-[[2-methyl-3-oxidanylidene-3-[(phenylmethyl)amino]propanoyl]amino]benzoic acid Openeye Name: 2-[[3-(benzylamino)-2-methyl-3-oxo-propanoyl]amino]benzoic acid CAS Name: 2-[[2-methyl-1,3-dioxo-3-[(phenylmethyl)amino]propyl]amino]benzoic acid IUPAC Name: 2-[[3-(benzylamino)-2-methyl-3-oxopropanoyl]amino]benzoic acid Traditional Name: 2-[[3-(benzylamino)-3-keto-2-methyl-propanoyl]amino]benzoic acid Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)C(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)C(=O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H18N2O4/c1-12(16(21)19-11-13-7-3-2-4-8-13)17(22)20-15-10-6-5-9-14(15)18(23)24/h2-10,12H,11H2,1H3,(H,19,21)(H,20,22)(H,23,24)