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

Systemtic Name: 2-[bis[4-(diethylamino)-2-methyl-phenyl]methyl]-2-(phenylmethyl)propanedioic acid Openeye Name: 2-benzyl-2-[bis[4-(diethylamino)-2-methyl-phenyl]methyl]propanedioic acid CAS Name: 2-[bis[4-(diethylamino)-2-methylphenyl]methyl]-2-(phenylmethyl)propanedioic acid IUPAC Name: 2-benzyl-2-[bis[4-(diethylamino)-2-methylphenyl]methyl]propanedioic acid Traditional Name: 2-benzyl-2-[bis[4-(diethylamino)-2-methyl-phenyl]methyl]malonic acid Formula: C33H42N2O4 MolecularWeight: 530.69758

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C(C2=C(C=C(C=C2)N(CC)CC)C)C(CC3=CC=CC=C3)(C(=O)O)C(=O)O)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C(C2=C(C=C(C=C2)N(CC)CC)C)C(CC3=CC=CC=C3)(C(=O)O)C(=O)O)C

InChI

InChI=1S/C33H42N2O4/c1-7-34(8-2)26-16-18-28(23(5)20-26)30(29-19-17-27(21-24(29)6)35(9-3)10-4)33(31(36)37,32(38)39)22-25-14-12-11-13-15-25/h11-21,30H,7-10,22H2,1-6H3,(H,36,37)(H,38,39)