2-[1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]cyclohexyl]ethanoic acid

Systemtic Name: 2-[1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]cyclohexyl]acetic acid CAS Name: 2-[1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]cyclohexyl]acetic acid IUPAC Name: 2-[1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]cyclohexyl]acetic acid Traditional Name: 2-[1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]cyclohexyl]acetic acid Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(=O)NC2=CC3=C(C=C2)OCCCO3)CC(=O)O

Isomeric SMILES

C1CCC(CC1)(CC(=O)NC2=CC3=C(C=C2)OCCCO3)CC(=O)O

InChI

InChI=1S/C19H25NO5/c21-17(12-19(13-18(22)23)7-2-1-3-8-19)20-14-5-6-15-16(11-14)25-10-4-9-24-15/h5-6,11H,1-4,7-10,12-13H2,(H,20,21)(H,22,23)