2-[1-(1-adamantyl)ethylcarbamoyl]benzoic acid

Systemtic Name: 2-[1-(1-adamantyl)ethylcarbamoyl]benzoic acid Openeye Name: 2-[1-(1-adamantyl)ethylcarbamoyl]benzoic acid CAS Name: 2-[[1-(1-adamantyl)ethylamino]-oxomethyl]benzoic acid IUPAC Name: 2-[1-(1-adamantyl)ethylcarbamoyl]benzoic acid Traditional Name: 2-[1-(1-adamantyl)ethylcarbamoyl]benzoic acid Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C20H25NO3/c1-12(20-9-13-6-14(10-20)8-15(7-13)11-20)21-18(22)16-4-2-3-5-17(16)19(23)24/h2-5,12-15H,6-11H2,1H3,(H,21,22)(H,23,24)