4-[octadecyl-(1-oxidanylnaphthalen-2-yl)carbonyl-amino]phthalic acid

Systemtic Name: 4-[octadecyl-(1-oxidanylnaphthalen-2-yl)carbonyl-amino]phthalic acid Openeye Name: 4-[(1-hydroxynaphthalene-2-carbonyl)-octadecyl-amino]phthalic acid CAS Name: 4-[[(1-hydroxy-2-naphthalenyl)-oxomethyl]-octadecylamino]phthalic acid IUPAC Name: 4-[(1-hydroxynaphthalene-2-carbonyl)-octadecylamino]phthalic acid Traditional Name: 4-[(1-hydroxy-2-naphthoyl)-stearyl-amino]phthalic acid Formula: C37H49NO6 MolecularWeight: 603.78806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C1=CC(=C(C=C1)C(=O)O)C(=O)O)C(=O)C2=C(C3=CC=CC=C3C=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C1=CC(=C(C=C1)C(=O)O)C(=O)O)C(=O)C2=C(C3=CC=CC=C3C=C2)O

InChI

InChI=1S/C37H49NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-38(29-23-25-31(36(41)42)33(27-29)37(43)44)35(40)32-24-22-28-20-17-18-21-30(28)34(32)39/h17-18,20-25,27,39H,2-16,19,26H2,1H3,(H,41,42)(H,43,44)