dimethyl 5-[octadecyl-(1-oxidanylnaphthalen-2-yl)carbonyl-amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[octadecyl-(1-oxidanylnaphthalen-2-yl)carbonyl-amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(1-hydroxynaphthalene-2-carbonyl)-octadecyl-amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(1-hydroxy-2-naphthalenyl)-oxomethyl]-octadecylamino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(1-hydroxynaphthalene-2-carbonyl)-octadecylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(1-hydroxy-2-naphthoyl)-stearyl-amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C39H53NO6 MolecularWeight: 631.84122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H53NO6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-40(33-28-31(38(43)45-2)27-32(29-33)39(44)46-3)37(42)35-25-24-30-22-19-20-23-34(30)36(35)41/h19-20,22-25,27-29,41H,4-18,21,26H2,1-3H3