2-[butyl(phenanthren-9-ylmethyl)amino]ethanoic acid

Systemtic Name: 2-[butyl(phenanthren-9-ylmethyl)amino]ethanoic acid Openeye Name: 2-[butyl(9-phenanthrylmethyl)amino]acetic acid CAS Name: 2-[butyl(9-phenanthrenylmethyl)amino]acetic acid IUPAC Name: 2-[butyl(phenanthren-9-ylmethyl)amino]acetic acid Traditional Name: 2-[butyl(9-phenanthrylmethyl)amino]acetic acid Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC2=CC=CC=C2C3=CC=CC=C31)CC(=O)O

Isomeric SMILES

CCCCN(CC1=CC2=CC=CC=C2C3=CC=CC=C31)CC(=O)O

InChI

InChI=1S/C21H23NO2/c1-2-3-12-22(15-21(23)24)14-17-13-16-8-4-5-9-18(16)20-11-7-6-10-19(17)20/h4-11,13H,2-3,12,14-15H2,1H3,(H,23,24)