methyl 4-[[[2-[(4-chlorophenyl)carbonylamino]-3-methyl-butanoyl]-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[2-[(4-chlorophenyl)carbonylamino]-3-methyl-butanoyl]-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(4-chlorobenzoyl)amino]-3-methyl-butanoyl]-methyl-amino]methyl]benzoate CAS Name: 4-[[[2-[[(4-chlorophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(4-chlorobenzoyl)amino]-3-methylbutanoyl]-methylamino]methyl]benzoate Traditional Name: 4-[[[2-[(4-chlorobenzoyl)amino]-3-methyl-butanoyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C)CC1=CC=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)C(C(=O)N(C)CC1=CC=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)Cl

InChI

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