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

Systemtic Name: 2-[(4-decoxynaphthalen-1-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[(4-decoxy-1-naphthyl)methyl-phenethyl-amino]-2-oxo-acetic acid CAS Name: 2-[(4-decoxy-1-naphthalenyl)methyl-phenethylamino]-2-oxoacetic acid IUPAC Name: 2-[(4-decoxynaphthalen-1-yl)methyl-phenethylamino]-2-oxoacetic acid Traditional Name: 2-[(4-decoxy-1-naphthyl)methyl-phenethyl-amino]-2-keto-acetic acid Formula: C31H39NO4 MolecularWeight: 489.64566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C2=CC=CC=C21)CN(CCC3=CC=CC=C3)C(=O)C(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C2=CC=CC=C21)CN(CCC3=CC=CC=C3)C(=O)C(=O)O

InChI

InChI=1S/C31H39NO4/c1-2-3-4-5-6-7-8-14-23-36-29-20-19-26(27-17-12-13-18-28(27)29)24-32(30(33)31(34)35)22-21-25-15-10-9-11-16-25/h9-13,15-20H,2-8,14,21-24H2,1H3,(H,34,35)