2-[2-[[3-(4-chlorophenyl)-4-pyridin-4-yl-butan-2-yl]amino]-2-oxidanylidene-ethyl]butanedioic acid

Systemtic Name: 2-[2-[[3-(4-chlorophenyl)-4-pyridin-4-yl-butan-2-yl]amino]-2-oxidanylidene-ethyl]butanedioic acid Openeye Name: 2-[2-[[2-(4-chlorophenyl)-1-methyl-3-(4-pyridyl)propyl]amino]-2-oxo-ethyl]butanedioic acid CAS Name: 2-[2-[[3-(4-chlorophenyl)-4-pyridin-4-ylbutan-2-yl]amino]-2-oxoethyl]butanedioic acid IUPAC Name: 2-[2-[[3-(4-chlorophenyl)-4-pyridin-4-ylbutan-2-yl]amino]-2-oxoethyl]butanedioic acid Traditional Name: 2-[2-[[2-(4-chlorophenyl)-1-methyl-3-(4-pyridyl)propyl]amino]-2-keto-ethyl]succinic acid Formula: C21H23ClN2O5 MolecularWeight: 418.87072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O5/c1-13(24-19(25)11-16(21(28)29)12-20(26)27)18(10-14-6-8-23-9-7-14)15-2-4-17(22)5-3-15/h2-9,13,16,18H,10-12H2,1H3,(H,24,25)(H,26,27)(H,28,29)