methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)butanoate

Systemtic Name: methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)butanoate Openeye Name: methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)butanoate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)butanoic acid methyl ester IUPAC Name: methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)butanoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)butyric acid methyl ester Formula: C14H19NO4 MolecularWeight: 265.30496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

COC(=O)CCCNC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C14H19NO4/c1-17-14(16)4-2-7-15-11-5-6-12-13(10-11)19-9-3-8-18-12/h5-6,10,15H,2-4,7-9H2,1H3