3,4-bis[2-(dicyclopentylamino)ethyl]phthalic acid

Systemtic Name: 3,4-bis[2-(dicyclopentylamino)ethyl]phthalic acid Openeye Name: 3,4-bis[2-(dicyclopentylamino)ethyl]phthalic acid CAS Name: 3,4-bis[2-(dicyclopentylamino)ethyl]phthalic acid IUPAC Name: 3,4-bis[2-(dicyclopentylamino)ethyl]phthalic acid Traditional Name: 3,4-bis[2-(dicyclopentylamino)ethyl]phthalic acid Formula: C32H48N2O4 MolecularWeight: 524.73452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CCC2=C(C(=C(C=C2)C(=O)O)C(=O)O)CCN(C3CCCC3)C4CCCC4)C5CCCC5

Isomeric SMILES

C1CCC(C1)N(CCC2=C(C(=C(C=C2)C(=O)O)C(=O)O)CCN(C3CCCC3)C4CCCC4)C5CCCC5

InChI

InChI=1S/C32H48N2O4/c35-31(36)29-18-17-23(19-21-33(24-9-1-2-10-24)25-11-3-4-12-25)28(30(29)32(37)38)20-22-34(26-13-5-6-14-26)27-15-7-8-16-27/h17-18,24-27H,1-16,19-22H2,(H,35,36)(H,37,38)