2-[(5-but-3-yn-2-yloxy-4-chloranyl-2-fluoranyl-phenyl)-(2-naphthalen-2-yloxyethanoyl)carbamoyl]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[(5-but-3-yn-2-yloxy-4-chloranyl-2-fluoranyl-phenyl)-(2-naphthalen-2-yloxyethanoyl)carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]-[2-(2-naphthyloxy)acetyl]carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[(5-but-3-yn-2-yloxy-4-chloro-2-fluoro-N-[2-(2-naphthalenyloxy)-1-oxoethyl]anilino)-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(5-but-3-yn-2-yloxy-4-chloro-2-fluorophenyl)-(2-naphthalen-2-yloxyacetyl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]-[2-(2-naphthoxy)acetyl]carbamoyl]cyclohexene-1-carboxylic acid Formula: C30H25ClFNO6 MolecularWeight: 549.974003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)OC1=C(C=C(C(=C1)N(C(=O)COC2=CC3=CC=CC=C3C=C2)C(=O)C4=C(CCCC4)C(=O)O)F)Cl

Isomeric SMILES

CC(C#C)OC1=C(C=C(C(=C1)N(C(=O)COC2=CC3=CC=CC=C3C=C2)C(=O)C4=C(CCCC4)C(=O)O)F)Cl

InChI

InChI=1S/C30H25ClFNO6/c1-3-18(2)39-27-16-26(25(32)15-24(27)31)33(29(35)22-10-6-7-11-23(22)30(36)37)28(34)17-38-21-13-12-19-8-4-5-9-20(19)14-21/h1,4-5,8-9,12-16,18H,6-7,10-11,17H2,2H3,(H,36,37)