4-[[2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanoyl]amino]adamantane-1-carboxylic acid

Systemtic Name: 4-[[2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-methyl-2-[4-(m-tolyl)piperazin-1-yl]propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-methyl-2-[4-(3-methylphenyl)-1-piperazinyl]-1-oxopropyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-methyl-2-[4-(m-tolyl)piperazino]propanoyl]amino]adamantane-1-carboxylic acid Formula: C26H37N3O3 MolecularWeight: 439.59028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(C)(C)C(=O)NC3C4CC5CC3CC(C5)(C4)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(C)(C)C(=O)NC3C4CC5CC3CC(C5)(C4)C(=O)O

InChI

InChI=1S/C26H37N3O3/c1-17-5-4-6-21(11-17)28-7-9-29(10-8-28)25(2,3)23(30)27-22-19-12-18-13-20(22)16-26(14-18,15-19)24(31)32/h4-6,11,18-20,22H,7-10,12-16H2,1-3H3,(H,27,30)(H,31,32)