3-[[2-[[2-(1-adamantylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]carbamoylamino]benzoic acid

Systemtic Name: 3-[[2-[[2-(1-adamantylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]carbamoylamino]benzoic acid Openeye Name: 3-[[2-[2-(adamantane-1-carbonyl)anilino]-2-oxo-ethyl]carbamoylamino]benzoic acid CAS Name: 3-[[[[2-[2-[1-adamantyl(oxo)methyl]anilino]-2-oxoethyl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-[2-(adamantane-1-carbonyl)anilino]-2-oxoethyl]carbamoylamino]benzoic acid Traditional Name: 3-[[2-[2-(adamantane-1-carbonyl)anilino]-2-keto-ethyl]carbamoylamino]benzoic acid Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C4=CC=CC=C4NC(=O)CNC(=O)NC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C4=CC=CC=C4NC(=O)CNC(=O)NC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C27H29N3O5/c31-23(15-28-26(35)29-20-5-3-4-19(11-20)25(33)34)30-22-7-2-1-6-21(22)24(32)27-12-16-8-17(13-27)10-18(9-16)14-27/h1-7,11,16-18H,8-10,12-15H2,(H,30,31)(H,33,34)(H2,28,29,35)