ethyl 2-[[3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl(3-phenylpropyl)amino]methyl]cyclopropane-1-carboxylate

Systemtic Name: ethyl 2-[[3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl(3-phenylpropyl)amino]methyl]cyclopropane-1-carboxylate Openeye Name: ethyl 2-[[3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl(3-phenylpropyl)amino]methyl]cyclopropanecarboxylate CAS Name: 2-[[[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxo)methyl]-(3-phenylpropyl)amino]methyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl(3-phenylpropyl)amino]methyl]cyclopropane-1-carboxylate Traditional Name: 2-[[3,4-dihydro-2H-1,5-benzodioxepin-7-carbonyl(3-phenylpropyl)amino]methyl]cyclopropanecarboxylic acid ethyl ester Formula: C26H31NO5 MolecularWeight: 437.52804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1CN(CCCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCOC(=O)C1CC1CN(CCCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C26H31NO5/c1-2-30-26(29)22-16-21(22)18-27(13-6-10-19-8-4-3-5-9-19)25(28)20-11-12-23-24(17-20)32-15-7-14-31-23/h3-5,8-9,11-12,17,21-22H,2,6-7,10,13-16,18H2,1H3