5-[[4-(5-methyl-2-propan-2-yl-phenoxy)phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[4-(5-methyl-2-propan-2-yl-phenoxy)phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(2-isopropyl-5-methyl-phenoxy)anilino]-5-oxo-pentanoic acid CAS Name: 5-[4-(5-methyl-2-propan-2-ylphenoxy)anilino]-5-oxopentanoic acid IUPAC Name: 5-[4-(5-methyl-2-propan-2-ylphenoxy)anilino]-5-oxopentanoic acid Traditional Name: 5-[4-(2-isopropyl-5-methyl-phenoxy)anilino]-5-keto-valeric acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC2=CC=C(C=C2)NC(=O)CCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC2=CC=C(C=C2)NC(=O)CCCC(=O)O

InChI

InChI=1S/C21H25NO4/c1-14(2)18-12-7-15(3)13-19(18)26-17-10-8-16(9-11-17)22-20(23)5-4-6-21(24)25/h7-14H,4-6H2,1-3H3,(H,22,23)(H,24,25)