2-[2-[1-ethoxy-3-methoxy-1,3-bis(oxidanylidene)propan-2-yl]-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutyl]ethanoic acid

Systemtic Name: 2-[2-[1-ethoxy-3-methoxy-1,3-bis(oxidanylidene)propan-2-yl]-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutyl]ethanoic acid Openeye Name: 2-[2-(1-ethoxycarbonyl-2-methoxy-2-oxo-ethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutyl]acetic acid CAS Name: 2-[2-(1-ethoxy-3-methoxy-1,3-dioxopropan-2-yl)-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]cyclobutyl]acetic acid IUPAC Name: 2-[2-(1-ethoxy-3-methoxy-1,3-dioxopropan-2-yl)-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutyl]acetic acid Traditional Name: 2-[2-(1-carbethoxy-2-keto-2-methoxy-ethyl)-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutyl]acetic 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)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(C(=O)OC)C(=O)OCC)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C46H52N2O10/c1-5-26-47(29-31-18-22-35(23-19-31)57-33-14-10-8-11-15-33)43(51)40-37(28-38(49)50)39(42(45(53)55-4)46(54)56-7-3)41(40)44(52)48(27-6-2)30-32-20-24-36(25-21-32)58-34-16-12-9-13-17-34/h8-25,37,39-42H,5-7,26-30H2,1-4H3,(H,49,50)