4-[[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid

Systemtic Name: 4-[[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-[4-(4-acetylphenyl)-1-piperazinyl]-2-methyl-1-oxopropyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-methylpropanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-[4-(4-acetylphenyl)piperazino]-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid Formula: C27H37N3O4 MolecularWeight: 467.60038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(C)(C)C(=O)NC3C4CC5CC3CC(C5)(C4)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(C)(C)C(=O)NC3C4CC5CC3CC(C5)(C4)C(=O)O

InChI

InChI=1S/C27H37N3O4/c1-17(31)19-4-6-22(7-5-19)29-8-10-30(11-9-29)26(2,3)24(32)28-23-20-12-18-13-21(23)16-27(14-18,15-20)25(33)34/h4-7,18,20-21,23H,8-16H2,1-3H3,(H,28,32)(H,33,34)