[(2S)-2-[[(1S)-2,2-dimethyl-1-pyridin-2-yl-butyl]amino]-3-methyl-butyl] imidazole-1-carboxylate

Systemtic Name: [(2S)-2-[[(1S)-2,2-dimethyl-1-pyridin-2-yl-butyl]amino]-3-methyl-butyl] imidazole-1-carboxylate Openeye Name: [(2S)-2-[[(1S)-2,2-dimethyl-1-(2-pyridyl)butyl]amino]-3-methyl-butyl] imidazole-1-carboxylate CAS Name: 1-imidazolecarboxylic acid [(2S)-2-[[(1S)-2,2-dimethyl-1-(2-pyridinyl)butyl]amino]-3-methylbutyl] ester IUPAC Name: [(2S)-2-[[(1S)-2,2-dimethyl-1-pyridin-2-ylbutyl]amino]-3-methylbutyl] imidazole-1-carboxylate Traditional Name: imidazole-1-carboxylic acid [(2S)-2-[[(1S)-2,2-dimethyl-1-(2-pyridyl)butyl]amino]-3-methyl-butyl] ester Formula: C20H30N4O2 MolecularWeight: 358.4778

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(C1=CC=CC=N1)NC(COC(=O)N2C=CN=C2)C(C)C

Isomeric SMILES

CCC(C)(C)[C@@H](C1=CC=CC=N1)N[C@H](COC(=O)N2C=CN=C2)C(C)C

InChI

InChI=1S/C20H30N4O2/c1-6-20(4,5)18(16-9-7-8-10-22-16)23-17(15(2)3)13-26-19(25)24-12-11-21-14-24/h7-12,14-15,17-18,23H,6,13H2,1-5H3/t17-,18-/m1/s1