ethyl 6-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]pyridine-3-carboxylate CAS Name: 6-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]nicotinic acid ethyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCCC2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H24N2O4/c1-2-25-21(24)16-7-9-20(22-14-16)23-10-3-5-17(23)15-6-8-18-19(13-15)27-12-4-11-26-18/h6-9,13-14,17H,2-5,10-12H2,1H3