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

Systemtic Name: 2,3-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]-4-(1-propanoyloxyethoxycarbonyl)cyclobutane-1-carboxylic acid Openeye Name: 2,3-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]-4-(1-propanoyloxyethoxycarbonyl)cyclobutanecarboxylic acid CAS Name: 2-[oxo-[1-(1-oxopropoxy)ethoxy]methyl]-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-1-cyclobutanecarboxylic acid IUPAC Name: 2,3-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]-4-(1-propanoyloxyethoxycarbonyl)cyclobutane-1-carboxylic acid Traditional Name: 2,3-bis[(4-phenoxybenzyl)-propyl-carbamoyl]-4-(1-propionyloxyethoxycarbonyl)cyclobutanecarboxylic acid Formula: C45H50N2O10 MolecularWeight: 778.8859

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

InChI

InChI=1S/C45H50N2O10/c1-5-26-46(28-31-18-22-35(23-19-31)56-33-14-10-8-11-15-33)42(49)38-39(41(40(38)44(51)52)45(53)55-30(4)54-37(48)7-3)43(50)47(27-6-2)29-32-20-24-36(25-21-32)57-34-16-12-9-13-17-34/h8-25,30,38-41H,5-7,26-29H2,1-4H3,(H,51,52)