2-[3-[(5-azanyl-4-methyl-4-oxidanyl-5-phenyl-hexan-3-yl)oxymethyl]phenyl]propanedioic acid

Systemtic Name: 2-[3-[(5-azanyl-4-methyl-4-oxidanyl-5-phenyl-hexan-3-yl)oxymethyl]phenyl]propanedioic acid Openeye Name: 2-[3-[(3-amino-1-ethyl-2-hydroxy-2-methyl-3-phenyl-butoxy)methyl]phenyl]propanedioic acid CAS Name: 2-[3-[(5-amino-4-hydroxy-4-methyl-5-phenylhexan-3-yl)oxymethyl]phenyl]propanedioic acid IUPAC Name: 2-[3-[(5-amino-4-hydroxy-4-methyl-5-phenylhexan-3-yl)oxymethyl]phenyl]propanedioic acid Traditional Name: 2-[3-[(3-amino-1-ethyl-2-hydroxy-2-methyl-3-phenyl-butoxy)methyl]phenyl]malonic acid Formula: C23H29NO6 MolecularWeight: 415.47946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO6/c1-4-18(23(3,29)22(2,24)17-11-6-5-7-12-17)30-14-15-9-8-10-16(13-15)19(20(25)26)21(27)28/h5-13,18-19,29H,4,14,24H2,1-3H3,(H,25,26)(H,27,28)