4-[[3-(1-adamantyl)-3-oxidanylidene-propanoyl]amino]benzoic acid

Systemtic Name: 4-[[3-(1-adamantyl)-3-oxidanylidene-propanoyl]amino]benzoic acid Openeye Name: 4-[[3-(1-adamantyl)-3-oxo-propanoyl]amino]benzoic acid CAS Name: 4-[[3-(1-adamantyl)-1,3-dioxopropyl]amino]benzoic acid IUPAC Name: 4-[[3-(1-adamantyl)-3-oxopropanoyl]amino]benzoic acid Traditional Name: 4-[[3-(1-adamantyl)-3-keto-propanoyl]amino]benzoic acid Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CC(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CC(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H23NO4/c22-17(20-9-12-5-13(10-20)7-14(6-12)11-20)8-18(23)21-16-3-1-15(2-4-16)19(24)25/h1-4,12-14H,5-11H2,(H,21,23)(H,24,25)