4-[[2,3-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-[[2,3-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]carbonylamino]butanoic acid Openeye Name: 4-[[2,3-dimethyl-4-(o-tolylmethoxy)benzoyl]amino]butanoic acid CAS Name: 4-[[[2,3-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[2,3-dimethyl-4-[(2-methylphenyl)methoxy]benzoyl]amino]butanoic acid Traditional Name: 4-[[2,3-dimethyl-4-(2-methylbenzyl)oxy-benzoyl]amino]butyric acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC2=C(C(=C(C=C2)C(=O)NCCCC(=O)O)C)C

Isomeric SMILES

CC1=CC=CC=C1COC2=C(C(=C(C=C2)C(=O)NCCCC(=O)O)C)C

InChI

InChI=1S/C21H25NO4/c1-14-7-4-5-8-17(14)13-26-19-11-10-18(15(2)16(19)3)21(25)22-12-6-9-20(23)24/h4-5,7-8,10-11H,6,9,12-13H2,1-3H3,(H,22,25)(H,23,24)