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

Systemtic Name: 2,3-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]-4-(propanoyloxymethoxycarbonyl)cyclobutane-1-carboxylic acid Openeye Name: 2,3-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]-4-(propanoyloxymethoxycarbonyl)cyclobutanecarboxylic acid CAS Name: 2-[oxo(1-oxopropoxymethoxy)methyl]-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-1-cyclobutanecarboxylic acid IUPAC Name: 2,3-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]-4-(propanoyloxymethoxycarbonyl)cyclobutane-1-carboxylic acid Traditional Name: 2,3-bis[(4-phenoxybenzyl)-propyl-carbamoyl]-4-(propionyloxymethoxycarbonyl)cyclobutanecarboxylic acid Formula: C44H48N2O10 MolecularWeight: 764.85932

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

InChI

InChI=1S/C44H48N2O10/c1-4-25-45(27-30-17-21-34(22-18-30)55-32-13-9-7-10-14-32)41(48)37-38(40(39(37)43(50)51)44(52)54-29-53-36(47)6-3)42(49)46(26-5-2)28-31-19-23-35(24-20-31)56-33-15-11-8-12-16-33/h7-24,37-40H,4-6,25-29H2,1-3H3,(H,50,51)