2-[2-(2-oxidanylidene-2-phenylmethoxy-ethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutyl]ethanoic acid

Systemtic Name: 2-[2-(2-oxidanylidene-2-phenylmethoxy-ethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutyl]ethanoic acid Openeye Name: 2-[2-(2-benzyloxy-2-oxo-ethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutyl]acetic acid CAS Name: 2-[2,3-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-4-(2-oxo-2-phenylmethoxyethyl)cyclobutyl]acetic acid IUPAC Name: 2-[2-(2-oxo-2-phenylmethoxyethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutyl]acetic acid Traditional Name: 2-[2-(2-benzoxy-2-keto-ethyl)-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutyl]acetic acid Formula: C49H52N2O8 MolecularWeight: 796.94578

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5)CC(=O)OCC6=CC=CC=C6)CC(=O)O

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5)CC(=O)OCC6=CC=CC=C6)CC(=O)O

InChI

InChI=1S/C49H52N2O8/c1-3-28-50(32-35-20-24-40(25-21-35)58-38-16-10-6-11-17-38)48(55)46-42(30-44(52)53)43(31-45(54)57-34-37-14-8-5-9-15-37)47(46)49(56)51(29-4-2)33-36-22-26-41(27-23-36)59-39-18-12-7-13-19-39/h5-27,42-43,46-47H,3-4,28-34H2,1-2H3,(H,52,53)