methyl 6-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-piperidinyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidine-1-carbonyl]nicotinic acid methyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCC(C2)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCC(C2)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23N3O5/c1-27-21(26)14-4-6-17(22-12-14)20(25)24-8-2-3-16(13-24)23-15-5-7-18-19(11-15)29-10-9-28-18/h4-7,11-12,16,23H,2-3,8-10,13H2,1H3