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

Systemtic Name: 2,3-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]-4-(2-propanoyloxypropan-2-yloxycarbonyl)cyclobutane-1-carboxylic acid Openeye Name: 2-(1-methyl-1-propanoyloxy-ethoxy)carbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutanecarboxylic acid CAS Name: 2-[oxo-[2-(1-oxopropoxy)propan-2-yloxy]methyl]-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-1-cyclobutanecarboxylic acid IUPAC Name: 2,3-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]-4-(2-propanoyloxypropan-2-yloxycarbonyl)cyclobutane-1-carboxylic acid Traditional Name: 2-(1-methyl-1-propionyloxy-ethoxy)carbonyl-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutanecarboxylic acid Formula: C46H52N2O10 MolecularWeight: 792.91248

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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)O)C(=O)OC(C)(C)OC(=O)CC)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)C3C(C(C3C(=O)O)C(=O)OC(C)(C)OC(=O)CC)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C46H52N2O10/c1-6-27-47(29-31-19-23-35(24-20-31)55-33-15-11-9-12-16-33)42(50)38-39(41(40(38)44(52)53)45(54)58-46(4,5)57-37(49)8-3)43(51)48(28-7-2)30-32-21-25-36(26-22-32)56-34-17-13-10-14-18-34/h9-26,38-41H,6-8,27-30H2,1-5H3,(H,52,53)