adamantan-1-amine; ethyl (3R,4R,5S)-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexene-1-carboxylate

Systemtic Name: adamantan-1-amine; ethyl (3R,4R,5S)-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexene-1-carboxylate Openeye Name: adamantan-1-amine; ethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)cyclohexene-1-carboxylate CAS Name: (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid ethyl ester; 1-adamantanamine IUPAC Name: adamantan-1-amine; ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate Traditional Name: (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid ethyl ester; 1-adamantylamine Formula: C26H45N3O4 MolecularWeight: 463.6532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC.C1C2CC3CC1CC(C2)(C3)N

Isomeric SMILES

CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCC.C1C2CC3CC1CC(C2)(C3)N

InChI

InChI=1S/C16H28N2O4.C10H17N/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19;11-10-4-7-1-8(5-10)3-9(2-7)6-10/h9,12-15H,5-8,17H2,1-4H3,(H,18,19);7-9H,1-6,11H2/t13-,14+,15+;/m0./s1