2-[(4-phenoxyphenyl)methyl-(4-phenylbutyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid

Systemtic Name: 2-[(4-phenoxyphenyl)methyl-(4-phenylbutyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2-[(4-phenoxyphenyl)methyl-(4-phenylbutyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid CAS Name: 2-[oxo-[(4-phenoxyphenyl)methyl-(4-phenylbutyl)amino]methyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2-[(4-phenoxyphenyl)methyl-(4-phenylbutyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid Traditional Name: 2-[(4-phenoxybenzyl)-(4-phenylbutyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid Formula: C30H31NO6 MolecularWeight: 501.57024

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C1C(=O)O)C(=O)N(CCCCC2=CC=CC=C2)CC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C(C(C1C(=O)O)C(=O)N(CCCCC2=CC=CC=C2)CC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C30H31NO6/c32-28(27-25(29(33)34)19-26(27)30(35)36)31(18-8-7-11-21-9-3-1-4-10-21)20-22-14-16-24(17-15-22)37-23-12-5-2-6-13-23/h1-6,9-10,12-17,25-27H,7-8,11,18-20H2,(H,33,34)(H,35,36)