7-(2-methylprop-2-enoylamino)adamantane-1,3,5-tricarboxylic acid

Systemtic Name: 7-(2-methylprop-2-enoylamino)adamantane-1,3,5-tricarboxylic acid Openeye Name: 7-(2-methylprop-2-enoylamino)adamantane-1,3,5-tricarboxylic acid CAS Name: 7-[(2-methyl-1-oxoprop-2-enyl)amino]adamantane-1,3,5-tricarboxylic acid IUPAC Name: 7-(2-methylprop-2-enoylamino)adamantane-1,3,5-tricarboxylic acid Traditional Name: 7-methacrylamidoadamantane-1,3,5-tricarboxylic acid Formula: C17H21NO7 MolecularWeight: 351.35114

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)NC12CC3(CC(C1)(CC(C3)(C2)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC(=C)C(=O)NC12CC3(CC(C1)(CC(C3)(C2)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C17H21NO7/c1-9(2)10(19)18-17-6-14(11(20)21)3-15(7-17,12(22)23)5-16(4-14,8-17)13(24)25/h1,3-8H2,2H3,(H,18,19)(H,20,21)(H,22,23)(H,24,25)