2-azanyl-2-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-[5-methyl-2-oxidanylidene-3-(phenylmethyl)pyridin-1-yl]-3-oxidanylidene-octanoic acid

Systemtic Name: 2-azanyl-2-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-[5-methyl-2-oxidanylidene-3-(phenylmethyl)pyridin-1-yl]-3-oxidanylidene-octanoic acid Openeye Name: 2-amino-4-(3-benzyl-5-methyl-2-oxo-1-pyridyl)-2-[(3-fluoro-4-methoxy-phenyl)methyl]-3-oxo-octanoic acid CAS Name: 2-amino-2-[(3-fluoro-4-methoxyphenyl)methyl]-4-[5-methyl-2-oxo-3-(phenylmethyl)-1-pyridinyl]-3-oxooctanoic acid IUPAC Name: 2-amino-4-(3-benzyl-5-methyl-2-oxopyridin-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methyl]-3-oxooctanoic acid Traditional Name: 2-amino-4-(3-benzyl-2-keto-5-methyl-1-pyridyl)-2-(3-fluoro-4-methoxy-benzyl)-3-keto-caprylic acid Formula: C29H33FN2O5 MolecularWeight: 508.581123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C(CC1=CC(=C(C=C1)OC)F)(C(=O)O)N)N2C=C(C=C(C2=O)CC3=CC=CC=C3)C

Isomeric SMILES

CCCCC(C(=O)C(CC1=CC(=C(C=C1)OC)F)(C(=O)O)N)N2C=C(C=C(C2=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C29H33FN2O5/c1-4-5-11-24(32-18-19(2)14-22(27(32)34)15-20-9-7-6-8-10-20)26(33)29(31,28(35)36)17-21-12-13-25(37-3)23(30)16-21/h6-10,12-14,16,18,24H,4-5,11,15,17,31H2,1-3H3,(H,35,36)