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

Systemtic Name: 4-methyl-2-[3-(6-oxidanylnaphthalen-2-yl)propanoylamino]-4-phenyl-cyclohexene-1-carboxylic acid Openeye Name: 2-[3-(6-hydroxy-2-naphthyl)propanoylamino]-4-methyl-4-phenyl-cyclohexene-1-carboxylic acid CAS Name: 2-[[3-(6-hydroxy-2-naphthalenyl)-1-oxopropyl]amino]-4-methyl-4-phenyl-1-cyclohexenecarboxylic acid IUPAC Name: 2-[3-(6-hydroxynaphthalen-2-yl)propanoylamino]-4-methyl-4-phenylcyclohexene-1-carboxylic acid Traditional Name: 2-[3-(6-hydroxy-2-naphthyl)propanoylamino]-4-methyl-4-phenyl-cyclohexene-1-carboxylic acid Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=C(C1)NC(=O)CCC2=CC3=C(C=C2)C=C(C=C3)O)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1(CCC(=C(C1)NC(=O)CCC2=CC3=C(C=C2)C=C(C=C3)O)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H27NO4/c1-27(21-5-3-2-4-6-21)14-13-23(26(31)32)24(17-27)28-25(30)12-8-18-7-9-20-16-22(29)11-10-19(20)15-18/h2-7,9-11,15-16,29H,8,12-14,17H2,1H3,(H,28,30)(H,31,32)