2-[bis[4-azanyl-2-(dicyclohexylmethyl)phenyl]methyl]-2-(phenylmethyl)propanedioic acid

Systemtic Name: 2-[bis[4-azanyl-2-(dicyclohexylmethyl)phenyl]methyl]-2-(phenylmethyl)propanedioic acid Openeye Name: 2-benzyl-2-[bis[4-amino-2-(dicyclohexylmethyl)phenyl]methyl]propanedioic acid CAS Name: 2-[bis[4-amino-2-(dicyclohexylmethyl)phenyl]methyl]-2-(phenylmethyl)propanedioic acid IUPAC Name: 2-benzyl-2-[bis[4-amino-2-(dicyclohexylmethyl)phenyl]methyl]propanedioic acid Traditional Name: 2-benzyl-2-[bis[4-amino-2-(dicyclohexylmethyl)phenyl]methyl]malonic acid Formula: C49H66N2O4 MolecularWeight: 747.05934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2CCCCC2)C3=C(C=CC(=C3)N)C(C4=C(C=C(C=C4)N)C(C5CCCCC5)C6CCCCC6)C(CC7=CC=CC=C7)(C(=O)O)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(C2CCCCC2)C3=C(C=CC(=C3)N)C(C4=C(C=C(C=C4)N)C(C5CCCCC5)C6CCCCC6)C(CC7=CC=CC=C7)(C(=O)O)C(=O)O

InChI

InChI=1S/C49H66N2O4/c50-38-26-28-40(42(30-38)44(34-18-8-2-9-19-34)35-20-10-3-11-21-35)46(49(47(52)53,48(54)55)32-33-16-6-1-7-17-33)41-29-27-39(51)31-43(41)45(36-22-12-4-13-23-36)37-24-14-5-15-25-37/h1,6-7,16-17,26-31,34-37,44-46H,2-5,8-15,18-25,32,50-51H2,(H,52,53)(H,54,55)