5-[[4-(dodecanoylamino)-3-methoxy-1-oxidanyl-5-phenoxycarbonyl-naphthalen-2-yl]carbonyl-ethyl-amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[4-(dodecanoylamino)-3-methoxy-1-oxidanyl-5-phenoxycarbonyl-naphthalen-2-yl]carbonyl-ethyl-amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[4-(dodecanoylamino)-1-hydroxy-3-methoxy-5-phenoxycarbonyl-naphthalene-2-carbonyl]-ethyl-amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[ethyl-[[1-hydroxy-3-methoxy-4-(1-oxododecylamino)-5-[oxo(phenoxy)methyl]-2-naphthalenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[4-(dodecanoylamino)-1-hydroxy-3-methoxy-5-phenoxycarbonylnaphthalene-2-carbonyl]-ethylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[5-carbophenoxy-1-hydroxy-4-(lauroylamino)-3-methoxy-2-naphthoyl]-ethyl-amino]isophthalic acid Formula: C41H46N2O10 MolecularWeight: 726.81134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=C(C(=C(C2=C1C(=CC=C2)C(=O)OC3=CC=CC=C3)O)C(=O)N(CC)C4=CC(=CC(=C4)C(=O)O)C(=O)O)OC

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=C(C(=C(C2=C1C(=CC=C2)C(=O)OC3=CC=CC=C3)O)C(=O)N(CC)C4=CC(=CC(=C4)C(=O)O)C(=O)O)OC

InChI

InChI=1S/C41H46N2O10/c1-4-6-7-8-9-10-11-12-16-22-32(44)42-35-33-30(20-17-21-31(33)41(51)53-29-18-14-13-15-19-29)36(45)34(37(35)52-3)38(46)43(5-2)28-24-26(39(47)48)23-27(25-28)40(49)50/h13-15,17-21,23-25,45H,4-12,16,22H2,1-3H3,(H,42,44)(H,47,48)(H,49,50)