4-[4-(1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl)oxyphenoxy]-2-[(phenylmethyl)amino]butanoic acid

Systemtic Name: 4-[4-(1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl)oxyphenoxy]-2-[(phenylmethyl)amino]butanoic acid Openeye Name: 2-(benzylamino)-4-[4-(2-ethoxy-1,1-dimethyl-2-oxo-ethoxy)phenoxy]butanoic acid CAS Name: 4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenoxy]-2-[(phenylmethyl)amino]butanoic acid IUPAC Name: 2-(benzylamino)-4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenoxy]butanoic acid Traditional Name: 2-(benzylamino)-4-[4-(2-ethoxy-2-keto-1,1-dimethyl-ethoxy)phenoxy]butyric acid Formula: C23H29NO6 MolecularWeight: 415.47946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)OC1=CC=C(C=C1)OCCC(C(=O)O)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C)(C)OC1=CC=C(C=C1)OCCC(C(=O)O)NCC2=CC=CC=C2

InChI

InChI=1S/C23H29NO6/c1-4-28-22(27)23(2,3)30-19-12-10-18(11-13-19)29-15-14-20(21(25)26)24-16-17-8-6-5-7-9-17/h5-13,20,24H,4,14-16H2,1-3H3,(H,25,26)