3-[2-[5-methyl-3-(naphthalen-2-ylmethyl)-2-oxidanylidene-pyridin-1-yl]hexanoylamino]-3-(3-propan-2-yloxyphenyl)propanoic acid

Systemtic Name: 3-[2-[5-methyl-3-(naphthalen-2-ylmethyl)-2-oxidanylidene-pyridin-1-yl]hexanoylamino]-3-(3-propan-2-yloxyphenyl)propanoic acid Openeye Name: 3-(3-isopropoxyphenyl)-3-[2-[5-methyl-3-(2-naphthylmethyl)-2-oxo-1-pyridyl]hexanoylamino]propanoic acid CAS Name: 3-[[2-[5-methyl-3-(2-naphthalenylmethyl)-2-oxo-1-pyridinyl]-1-oxohexyl]amino]-3-(3-propan-2-yloxyphenyl)propanoic acid IUPAC Name: 3-[2-[5-methyl-3-(naphthalen-2-ylmethyl)-2-oxopyridin-1-yl]hexanoylamino]-3-(3-propan-2-yloxyphenyl)propanoic acid Traditional Name: 3-(3-isopropoxyphenyl)-3-[2-[2-keto-5-methyl-3-(2-naphthylmethyl)-1-pyridyl]hexanoylamino]propionic acid Formula: C35H40N2O5 MolecularWeight: 568.7025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC(=O)O)C1=CC(=CC=C1)OC(C)C)N2C=C(C=C(C2=O)CC3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CCCCC(C(=O)NC(CC(=O)O)C1=CC(=CC=C1)OC(C)C)N2C=C(C=C(C2=O)CC3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C35H40N2O5/c1-5-6-14-32(34(40)36-31(21-33(38)39)28-12-9-13-30(20-28)42-23(2)3)37-22-24(4)17-29(35(37)41)19-25-15-16-26-10-7-8-11-27(26)18-25/h7-13,15-18,20,22-23,31-32H,5-6,14,19,21H2,1-4H3,(H,36,40)(H,38,39)