(1-azanyl-1-oxidanylidene-propan-2-yl) 1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 1-butyl-2-(4-methoxyphenyl)-6-oxo-piperidine-3-carboxylate CAS Name: 1-butyl-2-(4-methoxyphenyl)-6-oxo-3-piperidinecarboxylic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: 1-butyl-6-keto-2-(4-methoxyphenyl)nipecotic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)OC(C)C(=O)N)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCN1C(C(CCC1=O)C(=O)OC(C)C(=O)N)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H28N2O5/c1-4-5-12-22-17(23)11-10-16(20(25)27-13(2)19(21)24)18(22)14-6-8-15(26-3)9-7-14/h6-9,13,16,18H,4-5,10-12H2,1-3H3,(H2,21,24)