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

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

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)[C@@H]3C([C@H](C3C(=O)OC)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C41H44N2O8/c1-4-24-42(26-28-16-20-32(21-17-28)50-30-12-8-6-9-13-30)38(44)34-36(40(46)47)35(37(34)41(48)49-3)39(45)43(25-5-2)27-29-18-22-33(23-19-29)51-31-14-10-7-11-15-31/h6-23,34-37H,4-5,24-27H2,1-3H3,(H,46,47)/t34-,35-,36?,37?/m1/s1