2-[[4-methyl-3-(propanoylamino)phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-methyl-3-(propanoylamino)phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-methyl-3-(propanoylamino)phenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-methyl-3-(1-oxopropylamino)anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-methyl-3-(propanoylamino)phenyl]carbamoyl]benzoic acid Traditional Name: 2-[(4-methyl-3-propionamido-phenyl)carbamoyl]benzoic acid Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2C(=O)O)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2C(=O)O)C

InChI

InChI=1S/C18H18N2O4/c1-3-16(21)20-15-10-12(9-8-11(15)2)19-17(22)13-6-4-5-7-14(13)18(23)24/h4-10H,3H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)