3-[di(propan-2-yl)carbamoyl]-2-(phenylmethyl)benzoic acid

Systemtic Name: 3-[di(propan-2-yl)carbamoyl]-2-(phenylmethyl)benzoic acid Openeye Name: 2-benzyl-3-(diisopropylcarbamoyl)benzoic acid CAS Name: 3-[[di(propan-2-yl)amino]-oxomethyl]-2-(phenylmethyl)benzoic acid IUPAC Name: 2-benzyl-3-[di(propan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-benzyl-3-(diisopropylcarbamoyl)benzoic acid Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C1=C(C(=CC=C1)C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)N(C(C)C)C(=O)C1=C(C(=CC=C1)C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C21H25NO3/c1-14(2)22(15(3)4)20(23)17-11-8-12-18(21(24)25)19(17)13-16-9-6-5-7-10-16/h5-12,14-15H,13H2,1-4H3,(H,24,25)