ethyl (1S,2S)-2-[[butyl(2H-chromen-3-ylcarbonyl)amino]methyl]cyclopropane-1-carboxylate

Systemtic Name: ethyl (1S,2S)-2-[[butyl(2H-chromen-3-ylcarbonyl)amino]methyl]cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2S)-2-[[butyl(2H-chromene-3-carbonyl)amino]methyl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[[[2H-1-benzopyran-3-yl(oxo)methyl]-butylamino]methyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-2-[[butyl(2H-chromene-3-carbonyl)amino]methyl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-[[butyl(2H-chromene-3-carbonyl)amino]methyl]cyclopropanecarboxylic acid ethyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1CC1C(=O)OCC)C(=O)C2=CC3=CC=CC=C3OC2

Isomeric SMILES

CCCCN(C[C@H]1C[C@@H]1C(=O)OCC)C(=O)C2=CC3=CC=CC=C3OC2

InChI

InChI=1S/C21H27NO4/c1-3-5-10-22(13-16-12-18(16)21(24)25-4-2)20(23)17-11-15-8-6-7-9-19(15)26-14-17/h6-9,11,16,18H,3-5,10,12-14H2,1-2H3/t16-,18+/m1/s1