(E)-3-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]acrylic acid Formula: C21H24ClNO3 MolecularWeight: 373.87316

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)C=CC(=O)O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)/C=C/C(=O)O)Cl

InChI

InChI=1S/C21H24ClNO3/c22-18-3-1-13(2-4-19(24)25)8-17(18)20(26)23-12-21-9-14-5-15(10-21)7-16(6-14)11-21/h1-4,8,14-16H,5-7,9-12H2,(H,23,26)(H,24,25)/b4-2+