2-[2-ethoxycarbonyl-4-(2-methylpropylcarbamoyl)phenyl]benzoic acid

Systemtic Name: 2-[2-ethoxycarbonyl-4-(2-methylpropylcarbamoyl)phenyl]benzoic acid Openeye Name: 2-[2-ethoxycarbonyl-4-(isobutylcarbamoyl)phenyl]benzoic acid CAS Name: 2-[2-ethoxycarbonyl-4-[(2-methylpropylamino)-oxomethyl]phenyl]benzoic acid IUPAC Name: 2-[2-ethoxycarbonyl-4-(2-methylpropylcarbamoyl)phenyl]benzoic acid Traditional Name: 2-[2-carbethoxy-4-(isobutylcarbamoyl)phenyl]benzoic acid Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)C(=O)NCC(C)C)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)C(=O)NCC(C)C)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C21H23NO5/c1-4-27-21(26)18-11-14(19(23)22-12-13(2)3)9-10-16(18)15-7-5-6-8-17(15)20(24)25/h5-11,13H,4,12H2,1-3H3,(H,22,23)(H,24,25)