2-(carboxymethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylic acid

Systemtic Name: 2-(carboxymethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylic acid Openeye Name: 2-(carboxymethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutanecarboxylic acid CAS Name: 2-(carboxymethyl)-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-1-cyclobutanecarboxylic acid IUPAC Name: 2-(carboxymethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutane-1-carboxylic acid Traditional Name: 2-(carboxymethyl)-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutanecarboxylic acid Formula: C41H44N2O8 MolecularWeight: 692.79666

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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)C(=O)O)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)C(=O)O)CC(=O)O

InChI

InChI=1S/C41H44N2O8/c1-3-23-42(26-28-15-19-32(20-16-28)50-30-11-7-5-8-12-30)39(46)36-34(25-35(44)45)37(41(48)49)38(36)40(47)43(24-4-2)27-29-17-21-33(22-18-29)51-31-13-9-6-10-14-31/h5-22,34,36-38H,3-4,23-27H2,1-2H3,(H,44,45)(H,48,49)