methyl 1-[[2-[1-(1,3-dioxan-2-yl)ethyl]-4-propanoyl-phenyl]amino]piperidine-3-carboxylate

Systemtic Name: methyl 1-[[2-[1-(1,3-dioxan-2-yl)ethyl]-4-propanoyl-phenyl]amino]piperidine-3-carboxylate Openeye Name: methyl 1-[2-[1-(1,3-dioxan-2-yl)ethyl]-4-propanoyl-anilino]piperidine-3-carboxylate CAS Name: 1-[2-[1-(1,3-dioxan-2-yl)ethyl]-4-(1-oxopropyl)anilino]-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[1-(1,3-dioxan-2-yl)ethyl]-4-propanoylanilino]piperidine-3-carboxylate Traditional Name: 1-[2-[1-(1,3-dioxan-2-yl)ethyl]-4-propionyl-anilino]nipecotic acid methyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C=C1)NN2CCCC(C2)C(=O)OC)C(C)C3OCCCO3

Isomeric SMILES

CCC(=O)C1=CC(=C(C=C1)NN2CCCC(C2)C(=O)OC)C(C)C3OCCCO3

InChI

InChI=1S/C22H32N2O5/c1-4-20(25)16-8-9-19(18(13-16)15(2)22-28-11-6-12-29-22)23-24-10-5-7-17(14-24)21(26)27-3/h8-9,13,15,17,22-23H,4-7,10-12,14H2,1-3H3