2-azanyl-3-[3,5-di(butan-2-yl)-4-(4-oxidanylphenoxy)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3,5-di(butan-2-yl)-4-(4-oxidanylphenoxy)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3,5-disec-butyl-phenyl]propanoic acid CAS Name: 2-amino-3-[3,5-di(butan-2-yl)-4-(4-hydroxyphenoxy)phenyl]propanoic acid IUPAC Name: 2-amino-3-[3,5-di(butan-2-yl)-4-(4-hydroxyphenoxy)phenyl]propanoic acid Traditional Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3,5-disec-butyl-phenyl]propionic acid Formula: C23H31NO4 MolecularWeight: 385.49654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1OC2=CC=C(C=C2)O)C(C)CC)CC(C(=O)O)N

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1OC2=CC=C(C=C2)O)C(C)CC)CC(C(=O)O)N

InChI

InChI=1S/C23H31NO4/c1-5-14(3)19-11-16(13-21(24)23(26)27)12-20(15(4)6-2)22(19)28-18-9-7-17(25)8-10-18/h7-12,14-15,21,25H,5-6,13,24H2,1-4H3,(H,26,27)