2-azanyl-2-cyclopropyl-2-(2-methoxy-5-octyl-phenyl)ethanoic acid

Systemtic Name: 2-azanyl-2-cyclopropyl-2-(2-methoxy-5-octyl-phenyl)ethanoic acid Openeye Name: 2-amino-2-cyclopropyl-2-(2-methoxy-5-octyl-phenyl)acetic acid CAS Name: 2-amino-2-cyclopropyl-2-(2-methoxy-5-octylphenyl)acetic acid IUPAC Name: 2-amino-2-cyclopropyl-2-(2-methoxy-5-octylphenyl)acetic acid Traditional Name: 2-amino-2-cyclopropyl-2-(2-methoxy-5-octyl-phenyl)acetic acid Formula: C20H31NO3 MolecularWeight: 333.46504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)OC)C(C2CC2)(C(=O)O)N

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)OC)C(C2CC2)(C(=O)O)N

InChI

InChI=1S/C20H31NO3/c1-3-4-5-6-7-8-9-15-10-13-18(24-2)17(14-15)20(21,19(22)23)16-11-12-16/h10,13-14,16H,3-9,11-12,21H2,1-2H3,(H,22,23)