methyl 3-[3-[(4-tert-butylphenyl)carbonylamino]propanoylamino]-4-chloranyl-benzoate

Systemtic Name: methyl 3-[3-[(4-tert-butylphenyl)carbonylamino]propanoylamino]-4-chloranyl-benzoate Openeye Name: methyl 3-[3-[(4-tert-butylbenzoyl)amino]propanoylamino]-4-chloro-benzoate CAS Name: 3-[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[3-[(4-tert-butylbenzoyl)amino]propanoylamino]-4-chlorobenzoate Traditional Name: 3-[3-[(4-tert-butylbenzoyl)amino]propanoylamino]-4-chloro-benzoic acid methyl ester Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl

InChI

InChI=1S/C22H25ClN2O4/c1-22(2,3)16-8-5-14(6-9-16)20(27)24-12-11-19(26)25-18-13-15(21(28)29-4)7-10-17(18)23/h5-10,13H,11-12H2,1-4H3,(H,24,27)(H,25,26)