4-[[3-(2-ethoxyphenyl)-2-methanoyl-phenyl]-propyl-amino]butanoic acid

Systemtic Name: 4-[[3-(2-ethoxyphenyl)-2-methanoyl-phenyl]-propyl-amino]butanoic acid Openeye Name: 4-[3-(2-ethoxyphenyl)-2-formyl-N-propyl-anilino]butanoic acid CAS Name: 4-[3-(2-ethoxyphenyl)-2-formyl-N-propylanilino]butanoic acid IUPAC Name: 4-[3-(2-ethoxyphenyl)-2-formyl-N-propylanilino]butanoic acid Traditional Name: 4-(2-formyl-3-o-phenetyl-N-propyl-anilino)butyric acid Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCC(=O)O)C1=CC=CC(=C1C=O)C2=CC=CC=C2OCC

Isomeric SMILES

CCCN(CCCC(=O)O)C1=CC=CC(=C1C=O)C2=CC=CC=C2OCC

InChI

InChI=1S/C22H27NO4/c1-3-14-23(15-8-13-22(25)26)20-11-7-10-17(19(20)16-24)18-9-5-6-12-21(18)27-4-2/h5-7,9-12,16H,3-4,8,13-15H2,1-2H3,(H,25,26)