2-[(2-ethoxy-2-oxidanylidene-ethanoyl)amino]-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylate

Systemtic Name: 2-[(2-ethoxy-2-oxidanylidene-ethanoyl)amino]-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylate Openeye Name: 2-[(2-ethoxy-2-oxo-acetyl)amino]-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutanecarboxylate CAS Name: 2-[(2-ethoxy-1,2-dioxoethyl)amino]-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-1-cyclobutanecarboxylate IUPAC Name: 2-[(2-ethoxy-2-oxoacetyl)amino]-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutane-1-carboxylate Traditional Name: 2-(ethoxalylamino)-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutanecarboxylate Formula: C43H46N3O9- MolecularWeight: 748.84004

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

InChI

InChI=1S/C43H47N3O9/c1-4-25-45(27-29-17-21-33(22-18-29)54-31-13-9-7-10-14-31)40(48)35-36(38(37(35)42(50)51)44-39(47)43(52)53-6-3)41(49)46(26-5-2)28-30-19-23-34(24-20-30)55-32-15-11-8-12-16-32/h7-24,35-38H,4-6,25-28H2,1-3H3,(H,44,47)(H,50,51)/p-1