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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(CC1C2=CC=CC=N2)C(=O)O)NC(=O)CCC3=CC4=C(C=C3)C=C(C=C4)O

Isomeric SMILES

C1CC(=C(CC1C2=CC=CC=N2)C(=O)O)NC(=O)CCC3=CC4=C(C=C3)C=C(C=C4)O

InChI

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