4-[2-[4-(3-methyl-4-propan-2-yl-phenoxy)phenyl]ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[4-(3-methyl-4-propan-2-yl-phenoxy)phenyl]ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[4-(4-isopropyl-3-methyl-phenoxy)phenyl]ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-[4-(3-methyl-4-propan-2-ylphenoxy)phenyl]ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-[4-(3-methyl-4-propan-2-ylphenoxy)phenyl]ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-[4-(4-isopropyl-3-methyl-phenoxy)phenyl]ethylamino]-4-keto-butyric acid Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=CC=C(C=C2)CCNC(=O)CCC(=O)O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC=C(C=C2)CCNC(=O)CCC(=O)O)C(C)C

InChI

InChI=1S/C22H27NO4/c1-15(2)20-9-8-19(14-16(20)3)27-18-6-4-17(5-7-18)12-13-23-21(24)10-11-22(25)26/h4-9,14-15H,10-13H2,1-3H3,(H,23,24)(H,25,26)