4-[[2-methyl-2-(4-prop-2-enoxyphenyl)propanoyl]amino]adamantane-1-carboxylic acid

Systemtic Name: 4-[[2-methyl-2-(4-prop-2-enoxyphenyl)propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-(4-allyloxyphenyl)-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-methyl-1-oxo-2-(4-prop-2-enoxyphenyl)propyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-methyl-2-(4-prop-2-enoxyphenyl)propanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-(4-allyloxyphenyl)-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)OCC=C)C(=O)NC2C3CC4CC2CC(C4)(C3)C(=O)O

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)OCC=C)C(=O)NC2C3CC4CC2CC(C4)(C3)C(=O)O

InChI

InChI=1S/C24H31NO4/c1-4-9-29-19-7-5-18(6-8-19)23(2,3)21(26)25-20-16-10-15-11-17(20)14-24(12-15,13-16)22(27)28/h4-8,15-17,20H,1,9-14H2,2-3H3,(H,25,26)(H,27,28)