4-[(4-methyl-1-oxidanylidene-pentan-2-yl)carbamoyl]benzoic acid

Systemtic Name: 4-[(4-methyl-1-oxidanylidene-pentan-2-yl)carbamoyl]benzoic acid Openeye Name: 4-[(1-formyl-3-methyl-butyl)carbamoyl]benzoic acid CAS Name: 4-[[(4-methyl-1-oxopentan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 4-[(4-methyl-1-oxopentan-2-yl)carbamoyl]benzoic acid Traditional Name: 4-[(1-formyl-3-methyl-butyl)carbamoyl]benzoic acid Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C=O)NC(=O)C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)CC(C=O)NC(=O)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C14H17NO4/c1-9(2)7-12(8-16)15-13(17)10-3-5-11(6-4-10)14(18)19/h3-6,8-9,12H,7H2,1-2H3,(H,15,17)(H,18,19)