trimethyl (E,3R,8S)-8-[[4-(methylamino)phenyl]carbonylamino]oct-4-ene-1,3,8-tricarboxylate

Systemtic Name: trimethyl (E,3R,8S)-8-[[4-(methylamino)phenyl]carbonylamino]oct-4-ene-1,3,8-tricarboxylate Openeye Name: trimethyl (E,3R,8S)-8-[[4-(methylamino)benzoyl]amino]oct-4-ene-1,3,8-tricarboxylate CAS Name: (E,3R,8S)-8-[[[4-(methylamino)phenyl]-oxomethyl]amino]-4-octene-1,3,8-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl (E,3R,8S)-8-[[4-(methylamino)benzoyl]amino]oct-4-ene-1,3,8-tricarboxylate Traditional Name: (E,3R,8S)-8-[[4-(methylamino)benzoyl]amino]oct-4-ene-1,3,8-tricarboxylic acid trimethyl ester Formula: C22H30N2O7 MolecularWeight: 434.4828

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=C(C=C1)C(=O)NC(CCC=CC(CCC(=O)OC)C(=O)OC)C(=O)OC

Isomeric SMILES

CNC1=CC=C(C=C1)C(=O)N[C@@H](CC/C=C/[C@@H](CCC(=O)OC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H30N2O7/c1-23-17-12-9-15(10-13-17)20(26)24-18(22(28)31-4)8-6-5-7-16(21(27)30-3)11-14-19(25)29-2/h5,7,9-10,12-13,16,18,23H,6,8,11,14H2,1-4H3,(H,24,26)/b7-5+/t16-,18-/m0/s1