2-[[(E)-octadec-9-enyl]amino]butanedioic acid

Systemtic Name: 2-[[(E)-octadec-9-enyl]amino]butanedioic acid Openeye Name: 2-[[(E)-octadec-9-enyl]amino]butanedioic acid CAS Name: 2-[[(E)-octadec-9-enyl]amino]butanedioic acid IUPAC Name: 2-[[(E)-octadec-9-enyl]amino]butanedioic acid Traditional Name: 2-[[(E)-octadec-9-enyl]amino]succinic acid Formula: C22H41NO4 MolecularWeight: 383.56524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCNC(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCNC(CC(=O)O)C(=O)O

InChI

InChI=1S/C22H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20(22(26)27)19-21(24)25/h9-10,20,23H,2-8,11-19H2,1H3,(H,24,25)(H,26,27)/b10-9+