2-[3-[(2-azanyl-3-methyl-3-oxidanyl-2-phenyl-heptan-4-yl)oxymethyl]phenyl]propanedioic acid

Systemtic Name: 2-[3-[(2-azanyl-3-methyl-3-oxidanyl-2-phenyl-heptan-4-yl)oxymethyl]phenyl]propanedioic acid Openeye Name: 2-[3-[(3-amino-2-hydroxy-2-methyl-3-phenyl-1-propyl-butoxy)methyl]phenyl]propanedioic acid CAS Name: 2-[3-[(2-amino-3-hydroxy-3-methyl-2-phenylheptan-4-yl)oxymethyl]phenyl]propanedioic acid IUPAC Name: 2-[3-[(2-amino-3-hydroxy-3-methyl-2-phenylheptan-4-yl)oxymethyl]phenyl]propanedioic acid Traditional Name: 2-[3-[(3-amino-2-hydroxy-2-methyl-3-phenyl-1-propyl-butoxy)methyl]phenyl]malonic acid Formula: C24H31NO6 MolecularWeight: 429.50604

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)(C(C)(C1=CC=CC=C1)N)O)OCC2=CC(=CC=C2)C(C(=O)O)C(=O)O

Isomeric SMILES

CCCC(C(C)(C(C)(C1=CC=CC=C1)N)O)OCC2=CC(=CC=C2)C(C(=O)O)C(=O)O

InChI

InChI=1S/C24H31NO6/c1-4-9-19(24(3,30)23(2,25)18-12-6-5-7-13-18)31-15-16-10-8-11-17(14-16)20(21(26)27)22(28)29/h5-8,10-14,19-20,30H,4,9,15,25H2,1-3H3,(H,26,27)(H,28,29)