4-[[1-(8-methylnaphthalen-1-yl)carbonyloxy-6-phenyl-hexyl]-propyl-carbamoyl]cyclobutane-1,2,3-tricarboxylic acid

Systemtic Name: 4-[[1-(8-methylnaphthalen-1-yl)carbonyloxy-6-phenyl-hexyl]-propyl-carbamoyl]cyclobutane-1,2,3-tricarboxylic acid Openeye Name: 4-[[1-(8-methylnaphthalene-1-carbonyl)oxy-6-phenyl-hexyl]-propyl-carbamoyl]cyclobutane-1,2,3-tricarboxylic acid CAS Name: 4-[[[1-[(8-methyl-1-naphthalenyl)-oxomethoxy]-6-phenylhexyl]-propylamino]-oxomethyl]cyclobutane-1,2,3-tricarboxylic acid IUPAC Name: 4-[[1-(8-methylnaphthalene-1-carbonyl)oxy-6-phenylhexyl]-propylcarbamoyl]cyclobutane-1,2,3-tricarboxylic acid Traditional Name: 4-[[1-(8-methyl-1-naphthoyl)oxy-6-phenyl-hexyl]-propyl-carbamoyl]cyclobutane-1,2,3-tricarboxylic acid Formula: C35H39NO9 MolecularWeight: 617.68546

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(CCCCCC1=CC=CC=C1)OC(=O)C2=CC=CC3=C2C(=CC=C3)C)C(=O)C4C(C(C4C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCN(C(CCCCCC1=CC=CC=C1)OC(=O)C2=CC=CC3=C2C(=CC=C3)C)C(=O)C4C(C(C4C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C35H39NO9/c1-3-20-36(31(37)27-28(32(38)39)30(34(42)43)29(27)33(40)41)25(19-9-5-8-15-22-13-6-4-7-14-22)45-35(44)24-18-11-17-23-16-10-12-21(2)26(23)24/h4,6-7,10-14,16-18,25,27-30H,3,5,8-9,15,19-20H2,1-2H3,(H,38,39)(H,40,41)(H,42,43)