2-[4-(decylamino)phenyl]carbonyloxybutanedioic acid

Systemtic Name: 2-[4-(decylamino)phenyl]carbonyloxybutanedioic acid Openeye Name: 2-[4-(decylamino)benzoyl]oxybutanedioic acid CAS Name: 2-[[4-(decylamino)phenyl]-oxomethoxy]butanedioic acid IUPAC Name: 2-[4-(decylamino)benzoyl]oxybutanedioic acid Traditional Name: 2-[4-(decylamino)benzoyl]oxysuccinic acid Formula: C21H31NO6 MolecularWeight: 393.47394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(CC(=O)O)C(=O)O

InChI

InChI=1S/C21H31NO6/c1-2-3-4-5-6-7-8-9-14-22-17-12-10-16(11-13-17)21(27)28-18(20(25)26)15-19(23)24/h10-13,18,22H,2-9,14-15H2,1H3,(H,23,24)(H,25,26)