2-[3-(6-oxidanylnaphthalen-2-yl)propanoylamino]-5-pyridin-4-yl-cyclohexene-1-carboxylic acid

Systemtic Name: 2-[3-(6-oxidanylnaphthalen-2-yl)propanoylamino]-5-pyridin-4-yl-cyclohexene-1-carboxylic acid Openeye Name: 2-[3-(6-hydroxy-2-naphthyl)propanoylamino]-5-(4-pyridyl)cyclohexene-1-carboxylic acid CAS Name: 2-[[3-(6-hydroxy-2-naphthalenyl)-1-oxopropyl]amino]-5-pyridin-4-yl-1-cyclohexenecarboxylic acid IUPAC Name: 2-[3-(6-hydroxynaphthalen-2-yl)propanoylamino]-5-pyridin-4-ylcyclohexene-1-carboxylic acid Traditional Name: 2-[3-(6-hydroxy-2-naphthyl)propanoylamino]-5-(4-pyridyl)cyclohexene-1-carboxylic acid Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(CC1C2=CC=NC=C2)C(=O)O)NC(=O)CCC3=CC4=C(C=C3)C=C(C=C4)O

Isomeric SMILES

C1CC(=C(CC1C2=CC=NC=C2)C(=O)O)NC(=O)CCC3=CC4=C(C=C3)C=C(C=C4)O

InChI

InChI=1S/C25H24N2O4/c28-21-6-4-18-13-16(1-3-19(18)14-21)2-8-24(29)27-23-7-5-20(15-22(23)25(30)31)17-9-11-26-12-10-17/h1,3-4,6,9-14,20,28H,2,5,7-8,15H2,(H,27,29)(H,30,31)