methyl 2-[4-[3-(4-azanylnaphthalen-1-yl)propanoylamino]butoxy]-6-oxidanyl-benzoate

Systemtic Name: methyl 2-[4-[3-(4-azanylnaphthalen-1-yl)propanoylamino]butoxy]-6-oxidanyl-benzoate Openeye Name: methyl 2-[4-[3-(4-amino-1-naphthyl)propanoylamino]butoxy]-6-hydroxy-benzoate CAS Name: 2-[4-[[3-(4-amino-1-naphthalenyl)-1-oxopropyl]amino]butoxy]-6-hydroxybenzoic acid methyl ester IUPAC Name: methyl 2-[4-[3-(4-aminonaphthalen-1-yl)propanoylamino]butoxy]-6-hydroxybenzoate Traditional Name: 2-[4-[3-(4-amino-1-naphthyl)propanoylamino]butoxy]-6-hydroxy-benzoic acid methyl ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1OCCCCNC(=O)CCC2=CC=C(C3=CC=CC=C23)N)O

Isomeric SMILES

COC(=O)C1=C(C=CC=C1OCCCCNC(=O)CCC2=CC=C(C3=CC=CC=C23)N)O

InChI

InChI=1S/C25H28N2O5/c1-31-25(30)24-21(28)9-6-10-22(24)32-16-5-4-15-27-23(29)14-12-17-11-13-20(26)19-8-3-2-7-18(17)19/h2-3,6-11,13,28H,4-5,12,14-16,26H2,1H3,(H,27,29)