4-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]butanoic acid

Systemtic Name: 4-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]butanoic acid Openeye Name: 4-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]butanoic acid CAS Name: 4-[4-[(2,6-diethylanilino)-oxomethyl]phenoxy]butanoic acid IUPAC Name: 4-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]butanoic acid Traditional Name: 4-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]butyric acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC=C(C=C2)OCCCC(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC=C(C=C2)OCCCC(=O)O

InChI

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