3,4-bis[(5-phenoxythiophen-2-yl)methyl-propyl-carbamoyl]cyclobutane-1,2-dicarboxylic acid

Systemtic Name: 3,4-bis[(5-phenoxythiophen-2-yl)methyl-propyl-carbamoyl]cyclobutane-1,2-dicarboxylic acid Openeye Name: 3,4-bis[(5-phenoxy-2-thienyl)methyl-propyl-carbamoyl]cyclobutane-1,2-dicarboxylic acid CAS Name: 3,4-bis[oxo-[(5-phenoxy-2-thiophenyl)methyl-propylamino]methyl]cyclobutane-1,2-dicarboxylic acid IUPAC Name: 3,4-bis[(5-phenoxythiophen-2-yl)methyl-propylcarbamoyl]cyclobutane-1,2-dicarboxylic acid Traditional Name: 3,4-bis[(5-phenoxy-2-thienyl)methyl-propyl-carbamoyl]cyclobutane-1,2-dicarboxylic acid Formula: C36H38N2O8S2 MolecularWeight: 690.82552

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(S1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)N(CCC)CC4=CC=C(S4)OC5=CC=CC=C5

Isomeric SMILES

CCCN(CC1=CC=C(S1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)N(CCC)CC4=CC=C(S4)OC5=CC=CC=C5

InChI

InChI=1S/C36H38N2O8S2/c1-3-19-37(21-25-15-17-27(47-25)45-23-11-7-5-8-12-23)33(39)29-30(32(36(43)44)31(29)35(41)42)34(40)38(20-4-2)22-26-16-18-28(48-26)46-24-13-9-6-10-14-24/h5-18,29-32H,3-4,19-22H2,1-2H3,(H,41,42)(H,43,44)