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

Systemtic Name: 2-methoxycarbonyl-3,3-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylic acid Openeye Name: 2-methoxycarbonyl-3,3-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutanecarboxylic acid CAS Name: 2-methoxycarbonyl-3,3-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-1-cyclobutanecarboxylic acid IUPAC Name: 2-methoxycarbonyl-3,3-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutane-1-carboxylic acid Traditional Name: 2-carbomethoxy-3,3-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)C3(CC(C3C(=O)OC)C(=O)O)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3(CC(C3C(=O)OC)C(=O)O)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C41H44N2O8/c1-4-24-42(27-29-16-20-33(21-17-29)50-31-12-8-6-9-13-31)39(47)41(26-35(37(44)45)36(41)38(46)49-3)40(48)43(25-5-2)28-30-18-22-34(23-19-30)51-32-14-10-7-11-15-32/h6-23,35-36H,4-5,24-28H2,1-3H3,(H,44,45)