2,4-bis[2-(dicyclohexylamino)ethyl]benzene-1,3-dicarboxylate

Systemtic Name: 2,4-bis[2-(dicyclohexylamino)ethyl]benzene-1,3-dicarboxylate Openeye Name: 2,4-bis[2-(dicyclohexylamino)ethyl]benzene-1,3-dicarboxylate CAS Name: 2,4-bis[2-(dicyclohexylamino)ethyl]benzene-1,3-dicarboxylate IUPAC Name: 2,4-bis[2-(dicyclohexylamino)ethyl]benzene-1,3-dicarboxylate Traditional Name: 2,4-bis[2-(dicyclohexylamino)ethyl]isophthalate Formula: C36H54N2O4-2 MolecularWeight: 578.82496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CCC2=C(C(=C(C=C2)C(=O)[O-])CCN(C3CCCCC3)C4CCCCC4)C(=O)[O-])C5CCCCC5

Isomeric SMILES

C1CCC(CC1)N(CCC2=C(C(=C(C=C2)C(=O)[O-])CCN(C3CCCCC3)C4CCCCC4)C(=O)[O-])C5CCCCC5

InChI

InChI=1S/C36H56N2O4/c39-35(40)33-22-21-27(23-25-37(28-13-5-1-6-14-28)29-15-7-2-8-16-29)34(36(41)42)32(33)24-26-38(30-17-9-3-10-18-30)31-19-11-4-12-20-31/h21-22,28-31H,1-20,23-26H2,(H,39,40)(H,41,42)/p-2