4-[3-[2-(4-butoxyphenyl)ethanoylamino]propyl-[1-(4-chlorophenyl)ethyl]amino]butanoic acid

Systemtic Name: 4-[3-[2-(4-butoxyphenyl)ethanoylamino]propyl-[1-(4-chlorophenyl)ethyl]amino]butanoic acid Openeye Name: 4-[3-[[2-(4-butoxyphenyl)acetyl]amino]propyl-[1-(4-chlorophenyl)ethyl]amino]butanoic acid CAS Name: 4-[3-[[2-(4-butoxyphenyl)-1-oxoethyl]amino]propyl-[1-(4-chlorophenyl)ethyl]amino]butanoic acid IUPAC Name: 4-[3-[[2-(4-butoxyphenyl)acetyl]amino]propyl-[1-(4-chlorophenyl)ethyl]amino]butanoic acid Traditional Name: 4-[3-[[2-(4-butoxyphenyl)acetyl]amino]propyl-[1-(4-chlorophenyl)ethyl]amino]butyric acid Formula: C27H37ClN2O4 MolecularWeight: 489.04668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC(=O)NCCCN(CCCC(=O)O)C(C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC(=O)NCCCN(CCCC(=O)O)C(C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C27H37ClN2O4/c1-3-4-19-34-25-14-8-22(9-15-25)20-26(31)29-16-6-18-30(17-5-7-27(32)33)21(2)23-10-12-24(28)13-11-23/h8-15,21H,3-7,16-20H2,1-2H3,(H,29,31)(H,32,33)