3-methyl-5-[3-phenylmethoxypropyl(propyl)carbamoyl]benzoic acid

Systemtic Name: 3-methyl-5-[3-phenylmethoxypropyl(propyl)carbamoyl]benzoic acid Openeye Name: 3-[3-benzyloxypropyl(propyl)carbamoyl]-5-methyl-benzoic acid CAS Name: 3-methyl-5-[oxo-[3-phenylmethoxypropyl(propyl)amino]methyl]benzoic acid IUPAC Name: 3-methyl-5-[3-phenylmethoxypropyl(propyl)carbamoyl]benzoic acid Traditional Name: 3-[3-benzoxypropyl(propyl)carbamoyl]-5-methyl-benzoic acid Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCOCC1=CC=CC=C1)C(=O)C2=CC(=CC(=C2)C)C(=O)O

Isomeric SMILES

CCCN(CCCOCC1=CC=CC=C1)C(=O)C2=CC(=CC(=C2)C)C(=O)O

InChI

InChI=1S/C22H27NO4/c1-3-10-23(11-7-12-27-16-18-8-5-4-6-9-18)21(24)19-13-17(2)14-20(15-19)22(25)26/h4-6,8-9,13-15H,3,7,10-12,16H2,1-2H3,(H,25,26)