3-(1-adamantylmethylcarbamoyl)-4-chloranyl-benzoic acid

Systemtic Name: 3-(1-adamantylmethylcarbamoyl)-4-chloranyl-benzoic acid Openeye Name: 3-(1-adamantylmethylcarbamoyl)-4-chloro-benzoic acid CAS Name: 3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorobenzoic acid IUPAC Name: 3-(1-adamantylmethylcarbamoyl)-4-chlorobenzoic acid Traditional Name: 3-(1-adamantylmethylcarbamoyl)-4-chloro-benzoic acid Formula: C19H22ClNO3 MolecularWeight: 347.83588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClNO3/c20-16-2-1-14(18(23)24)6-15(16)17(22)21-10-19-7-11-3-12(8-19)5-13(4-11)9-19/h1-2,6,11-13H,3-5,7-10H2,(H,21,22)(H,23,24)