3-(3-acetamido-4-butoxy-5-phenyl-phenyl)propanoic acid

Systemtic Name: 3-(3-acetamido-4-butoxy-5-phenyl-phenyl)propanoic acid Openeye Name: 3-(3-acetamido-4-butoxy-5-phenyl-phenyl)propanoic acid CAS Name: 3-(3-acetamido-4-butoxy-5-phenylphenyl)propanoic acid IUPAC Name: 3-(3-acetamido-4-butoxy-5-phenylphenyl)propanoic acid Traditional Name: 3-(3-acetamido-4-butoxy-5-phenyl-phenyl)propionic acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1C2=CC=CC=C2)CCC(=O)O)NC(=O)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1C2=CC=CC=C2)CCC(=O)O)NC(=O)C

InChI

InChI=1S/C21H25NO4/c1-3-4-12-26-21-18(17-8-6-5-7-9-17)13-16(10-11-20(24)25)14-19(21)22-15(2)23/h5-9,13-14H,3-4,10-12H2,1-2H3,(H,22,23)(H,24,25)