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

Systemtic Name: 3,4-bis[(3-ethoxy-3-oxidanylidene-propyl)-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid Openeye Name: 3,4-bis[(3-ethoxy-3-oxo-propyl)-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid CAS Name: 3,4-bis[[(3-ethoxy-3-oxopropyl)-[(4-phenoxyphenyl)methyl]amino]-oxomethyl]cyclobutane-1,2-dicarboxylic acid IUPAC Name: 3,4-bis[(3-ethoxy-3-oxopropyl)-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid Traditional Name: 3,4-bis[(3-ethoxy-3-keto-propyl)-(4-phenoxybenzyl)carbamoyl]cyclobutane-1,2-dicarboxylic acid Formula: C44H46N2O12 MolecularWeight: 794.84224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H46N2O12/c1-3-55-35(47)23-25-45(27-29-15-19-33(20-16-29)57-31-11-7-5-8-12-31)41(49)37-38(40(44(53)54)39(37)43(51)52)42(50)46(26-24-36(48)56-4-2)28-30-17-21-34(22-18-30)58-32-13-9-6-10-14-32/h5-22,37-40H,3-4,23-28H2,1-2H3,(H,51,52)(H,53,54)