2-methylpropyl 4-[4-(3-methylphenoxy)butanoylamino]benzoate

Systemtic Name: 2-methylpropyl 4-[4-(3-methylphenoxy)butanoylamino]benzoate Openeye Name: isobutyl 4-[4-(3-methylphenoxy)butanoylamino]benzoate CAS Name: 4-[[4-(3-methylphenoxy)-1-oxobutyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[4-(3-methylphenoxy)butanoylamino]benzoate Traditional Name: 4-[4-(3-methylphenoxy)butanoylamino]benzoic acid isobutyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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