5-(5-methylthiophen-3-yl)-2-(3-naphthalen-2-ylpropanoylamino)cyclohexene-1-carboxylic acid

Systemtic Name: 5-(5-methylthiophen-3-yl)-2-(3-naphthalen-2-ylpropanoylamino)cyclohexene-1-carboxylic acid Openeye Name: 5-(5-methyl-3-thienyl)-2-[3-(2-naphthyl)propanoylamino]cyclohexene-1-carboxylic acid CAS Name: 5-(5-methyl-3-thiophenyl)-2-[[3-(2-naphthalenyl)-1-oxopropyl]amino]-1-cyclohexenecarboxylic acid IUPAC Name: 5-(5-methylthiophen-3-yl)-2-(3-naphthalen-2-ylpropanoylamino)cyclohexene-1-carboxylic acid Traditional Name: 5-(5-methyl-3-thienyl)-2-[3-(2-naphthyl)propanoylamino]cyclohexene-1-carboxylic acid Formula: C25H25NO3S MolecularWeight: 419.5359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CS1)C2CCC(=C(C2)C(=O)O)NC(=O)CCC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=CS1)C2CCC(=C(C2)C(=O)O)NC(=O)CCC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H25NO3S/c1-16-12-21(15-30-16)20-9-10-23(22(14-20)25(28)29)26-24(27)11-7-17-6-8-18-4-2-3-5-19(18)13-17/h2-6,8,12-13,15,20H,7,9-11,14H2,1H3,(H,26,27)(H,28,29)