2-[(4-butoxynaphthalen-1-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[(4-butoxynaphthalen-1-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[(4-butoxy-1-naphthyl)methyl-phenethyl-amino]-2-oxo-acetic acid CAS Name: 2-[(4-butoxy-1-naphthalenyl)methyl-phenethylamino]-2-oxoacetic acid IUPAC Name: 2-[(4-butoxynaphthalen-1-yl)methyl-phenethylamino]-2-oxoacetic acid Traditional Name: 2-[(4-butoxy-1-naphthyl)methyl-phenethyl-amino]-2-keto-acetic acid Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C2=CC=CC=C21)CN(CCC3=CC=CC=C3)C(=O)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C2=CC=CC=C21)CN(CCC3=CC=CC=C3)C(=O)C(=O)O

InChI

InChI=1S/C25H27NO4/c1-2-3-17-30-23-14-13-20(21-11-7-8-12-22(21)23)18-26(24(27)25(28)29)16-15-19-9-5-4-6-10-19/h4-14H,2-3,15-18H2,1H3,(H,28,29)