4-[1-(4-chlorophenyl)ethyl-[3-[(4-methylphenyl)methylcarbamoylamino]propyl]amino]butanoic acid

Systemtic Name: 4-[1-(4-chlorophenyl)ethyl-[3-[(4-methylphenyl)methylcarbamoylamino]propyl]amino]butanoic acid Openeye Name: 4-[1-(4-chlorophenyl)ethyl-[3-(p-tolylmethylcarbamoylamino)propyl]amino]butanoic acid CAS Name: 4-[1-(4-chlorophenyl)ethyl-[3-[[[(4-methylphenyl)methylamino]-oxomethyl]amino]propyl]amino]butanoic acid IUPAC Name: 4-[1-(4-chlorophenyl)ethyl-[3-[(4-methylphenyl)methylcarbamoylamino]propyl]amino]butanoic acid Traditional Name: 4-[1-(4-chlorophenyl)ethyl-[3-[(4-methylbenzyl)carbamoylamino]propyl]amino]butyric acid Formula: C24H32ClN3O3 MolecularWeight: 445.98218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)NCCCN(CCCC(=O)O)C(C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)NCCCN(CCCC(=O)O)C(C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C24H32ClN3O3/c1-18-6-8-20(9-7-18)17-27-24(31)26-14-4-16-28(15-3-5-23(29)30)19(2)21-10-12-22(25)13-11-21/h6-13,19H,3-5,14-17H2,1-2H3,(H,29,30)(H2,26,27,31)