dimethyl 5-[[2-chloranyl-3-(2-octadecoxyphenyl)-3-oxidanylidene-propanoyl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[2-chloranyl-3-(2-octadecoxyphenyl)-3-oxidanylidene-propanoyl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-chloro-3-(2-octadecoxyphenyl)-3-oxo-propanoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-chloro-3-(2-octadecoxyphenyl)-1,3-dioxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-chloro-3-(2-octadecoxyphenyl)-3-oxopropanoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-chloro-3-keto-3-(2-stearyloxyphenyl)propanoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C37H52ClNO7 MolecularWeight: 658.26428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)C(C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)C(C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)Cl

InChI

InChI=1S/C37H52ClNO7/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-46-32-23-20-19-22-31(32)34(40)33(38)35(41)39-30-26-28(36(42)44-2)25-29(27-30)37(43)45-3/h19-20,22-23,25-27,33H,4-18,21,24H2,1-3H3,(H,39,41)