4-[10-phenyldecyl-(phenylmethyl)carbamoyl]cyclobutane-1,2,3-tricarboxylic acid

Systemtic Name: 4-[10-phenyldecyl-(phenylmethyl)carbamoyl]cyclobutane-1,2,3-tricarboxylic acid Openeye Name: 4-[benzyl(10-phenyldecyl)carbamoyl]cyclobutane-1,2,3-tricarboxylic acid CAS Name: 4-[oxo-[10-phenyldecyl-(phenylmethyl)amino]methyl]cyclobutane-1,2,3-tricarboxylic acid IUPAC Name: 4-[benzyl(10-phenyldecyl)carbamoyl]cyclobutane-1,2,3-tricarboxylic acid Traditional Name: 4-[benzyl(10-phenyldecyl)carbamoyl]cyclobutane-1,2,3-tricarboxylic acid Formula: C31H39NO7 MolecularWeight: 537.64386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCCCN(CC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCCCN(CC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C31H39NO7/c33-28(24-25(29(34)35)27(31(38)39)26(24)30(36)37)32(21-23-18-12-8-13-19-23)20-14-6-4-2-1-3-5-9-15-22-16-10-7-11-17-22/h7-8,10-13,16-19,24-27H,1-6,9,14-15,20-21H2,(H,34,35)(H,36,37)(H,38,39)