2-[2-(diethylamino)-2-oxidanylidene-ethoxy]carbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylic acid

Systemtic Name: 2-[2-(diethylamino)-2-oxidanylidene-ethoxy]carbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylic acid Openeye Name: 2-[2-(diethylamino)-2-oxo-ethoxy]carbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutanecarboxylic acid CAS Name: 2-[[2-(diethylamino)-2-oxoethoxy]-oxomethyl]-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-1-cyclobutanecarboxylic acid IUPAC Name: 2-[2-(diethylamino)-2-oxoethoxy]carbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutane-1-carboxylic acid Traditional Name: 2-[2-(diethylamino)-2-keto-ethoxy]carbonyl-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutanecarboxylic acid Formula: C46H53N3O9 MolecularWeight: 791.92772

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

InChI

InChI=1S/C46H53N3O9/c1-5-27-48(29-32-19-23-36(24-20-32)57-34-15-11-9-12-16-34)43(51)39-40(42(41(39)45(53)54)46(55)56-31-38(50)47(7-3)8-4)44(52)49(28-6-2)30-33-21-25-37(26-22-33)58-35-17-13-10-14-18-35/h9-26,39-42H,5-8,27-31H2,1-4H3,(H,53,54)