4-[[2-methyl-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)propanoyl]amino]adamantane-1-carboxylic acid

Systemtic Name: 4-[[2-methyl-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-methyl-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-methyl-1-oxo-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)propyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-methyl-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)propanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-methyl-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)propanoyl]amino]adamantane-1-carboxylic acid Formula: C25H34N2O3 MolecularWeight: 410.54906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CNCCC2=CC=CC=C12)C(=O)NC3C4CC5CC3CC(C5)(C4)C(=O)O

Isomeric SMILES

CC(C)(C1CNCCC2=CC=CC=C12)C(=O)NC3C4CC5CC3CC(C5)(C4)C(=O)O

InChI

InChI=1S/C25H34N2O3/c1-24(2,20-14-26-8-7-16-5-3-4-6-19(16)20)22(28)27-21-17-9-15-10-18(21)13-25(11-15,12-17)23(29)30/h3-6,15,17-18,20-21,26H,7-14H2,1-2H3,(H,27,28)(H,29,30)