(1-butylpiperidin-4-yl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylate

Systemtic Name: (1-butylpiperidin-4-yl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylate Openeye Name: (1-butyl-4-piperidyl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-6-carboxylic acid (1-butyl-4-piperidinyl)methyl ester IUPAC Name: (1-butylpiperidin-4-yl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-6-carboxylic acid (1-butyl-4-piperidyl)methyl ester Formula: C20H29NO4 MolecularWeight: 347.44856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)COC(=O)C2=C3C(=CC=C2)OCCCO3

Isomeric SMILES

CCCCN1CCC(CC1)COC(=O)C2=C3C(=CC=C2)OCCCO3

InChI

InChI=1S/C20H29NO4/c1-2-3-10-21-11-8-16(9-12-21)15-25-20(22)17-6-4-7-18-19(17)24-14-5-13-23-18/h4,6-7,16H,2-3,5,8-15H2,1H3