methyl (2R,4R,5R)-5-(2-methylheptyl)-2-(1H-pyrrol-2-yl)-1,3-oxazinane-4-carboxylate

Systemtic Name: methyl (2R,4R,5R)-5-(2-methylheptyl)-2-(1H-pyrrol-2-yl)-1,3-oxazinane-4-carboxylate Openeye Name: methyl (2R,4R,5R)-5-(2-methylheptyl)-2-(1H-pyrrol-2-yl)-1,3-oxazinane-4-carboxylate CAS Name: (2R,4R,5R)-5-(2-methylheptyl)-2-(1H-pyrrol-2-yl)-1,3-oxazinane-4-carboxylic acid methyl ester IUPAC Name: methyl (2R,4R,5R)-5-(2-methylheptyl)-2-(1H-pyrrol-2-yl)-1,3-oxazinane-4-carboxylate Traditional Name: (2R,4R,5R)-5-(2-methylheptyl)-2-(1H-pyrrol-2-yl)-1,3-oxazinane-4-carboxylic acid methyl ester Formula: C18H30N2O3 MolecularWeight: 322.4424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CC1COC(NC1C(=O)OC)C2=CC=CN2

Isomeric SMILES

CCCCCC(C)C[C@H]1CO[C@@H](N[C@H]1C(=O)OC)C2=CC=CN2

InChI

InChI=1S/C18H30N2O3/c1-4-5-6-8-13(2)11-14-12-23-17(15-9-7-10-19-15)20-16(14)18(21)22-3/h7,9-10,13-14,16-17,19-20H,4-6,8,11-12H2,1-3H3/t13?,14-,16+,17+/m0/s1