2-azanyl-2-(4-azanylbutyl)-8-(4,6-diphenylpyridin-2-yl)oxy-3-oxidanylidene-octanoic acid

Systemtic Name: 2-azanyl-2-(4-azanylbutyl)-8-(4,6-diphenylpyridin-2-yl)oxy-3-oxidanylidene-octanoic acid Openeye Name: 2-amino-2-(4-aminobutyl)-8-[(4,6-diphenyl-2-pyridyl)oxy]-3-oxo-octanoic acid CAS Name: 2-amino-2-(4-aminobutyl)-8-[(4,6-diphenyl-2-pyridinyl)oxy]-3-oxooctanoic acid IUPAC Name: 2-amino-2-(4-aminobutyl)-8-(4,6-diphenylpyridin-2-yl)oxy-3-oxooctanoic acid Traditional Name: 2-amino-2-(4-aminobutyl)-8-[(4,6-diphenyl-2-pyridyl)oxy]-3-keto-caprylic acid Formula: C29H35N3O4 MolecularWeight: 489.6059

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2)OCCCCCC(=O)C(CCCCN)(C(=O)O)N)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2)OCCCCCC(=O)C(CCCCN)(C(=O)O)N)C3=CC=CC=C3

InChI

InChI=1S/C29H35N3O4/c30-18-10-9-17-29(31,28(34)35)26(33)16-8-3-11-19-36-27-21-24(22-12-4-1-5-13-22)20-25(32-27)23-14-6-2-7-15-23/h1-2,4-7,12-15,20-21H,3,8-11,16-19,30-31H2,(H,34,35)