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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)butanoate Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)butanoate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)butanoate IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)butanoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)butyrate Formula: C13H16NO4- MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NCCCC(=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NCCCC(=O)[O-])OC1

InChI

InChI=1S/C13H17NO4/c15-13(16)3-1-6-14-10-4-5-11-12(9-10)18-8-2-7-17-11/h4-5,9,14H,1-3,6-8H2,(H,15,16)/p-1