methyl 3-[4-(3-methyl-4-propan-2-yl-phenoxy)butanoylamino]benzoate

Systemtic Name: methyl 3-[4-(3-methyl-4-propan-2-yl-phenoxy)butanoylamino]benzoate Openeye Name: methyl 3-[4-(4-isopropyl-3-methyl-phenoxy)butanoylamino]benzoate CAS Name: 3-[[4-(3-methyl-4-propan-2-ylphenoxy)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]benzoate Traditional Name: 3-[4-(4-isopropyl-3-methyl-phenoxy)butanoylamino]benzoic acid methyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)NC2=CC=CC(=C2)C(=O)OC)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)NC2=CC=CC(=C2)C(=O)OC)C(C)C

InChI

InChI=1S/C22H27NO4/c1-15(2)20-11-10-19(13-16(20)3)27-12-6-9-21(24)23-18-8-5-7-17(14-18)22(25)26-4/h5,7-8,10-11,13-15H,6,9,12H2,1-4H3,(H,23,24)