4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]-6-ethyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]-6-ethyl-7-hydroxy-coumarin Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC3=CC4=C(C=C3)OCCCO4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC3=CC4=C(C=C3)OCCCO4)O

InChI

InChI=1S/C21H21NO5/c1-2-13-8-16-14(9-21(24)27-19(16)11-17(13)23)12-22-15-4-5-18-20(10-15)26-7-3-6-25-18/h4-5,8-11,22-23H,2-3,6-7,12H2,1H3