4-[[(2S)-2-[(4-chlorophenyl)carbonylamino]-3-methyl-butanoyl]amino]-N,N-diethyl-benzamide

Systemtic Name: 4-[[(2S)-2-[(4-chlorophenyl)carbonylamino]-3-methyl-butanoyl]amino]-N,N-diethyl-benzamide Openeye Name: 4-[[(2S)-2-[(4-chlorobenzoyl)amino]-3-methyl-butanoyl]amino]-N,N-diethyl-benzamide CAS Name: 4-[[(2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-N,N-diethylbenzamide IUPAC Name: 4-[[(2S)-2-[(4-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-N,N-diethylbenzamide Traditional Name: 4-[[(2S)-2-[(4-chlorobenzoyl)amino]-3-methyl-butanoyl]amino]-N,N-diethyl-benzamide Formula: C23H28ClN3O3 MolecularWeight: 429.93972

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C23H28ClN3O3/c1-5-27(6-2)23(30)17-9-13-19(14-10-17)25-22(29)20(15(3)4)26-21(28)16-7-11-18(24)12-8-16/h7-15,20H,5-6H2,1-4H3,(H,25,29)(H,26,28)/t20-/m0/s1