ethyl 4-[2-[(5-oxidanylidene-6H-benzo[b][1]benzoxepin-3-yl)carbonylamino]phenoxy]butanoate

Systemtic Name: ethyl 4-[2-[(5-oxidanylidene-6H-benzo[b][1]benzoxepin-3-yl)carbonylamino]phenoxy]butanoate Openeye Name: ethyl 4-[2-[(5-oxo-6H-benzo[b][1]benzoxepine-3-carbonyl)amino]phenoxy]butanoate CAS Name: 4-[2-[[oxo-(5-oxo-6H-benzo[b][1]benzoxepin-3-yl)methyl]amino]phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(5-oxo-6H-benzo[b][1]benzoxepine-3-carbonyl)amino]phenoxy]butanoate Traditional Name: 4-[2-[(5-keto-6H-benzo[b][1]benzoxepin-3-carbonyl)amino]phenoxy]butyric acid ethyl ester Formula: C27H25NO6 MolecularWeight: 459.4905

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4CC3=O

Isomeric SMILES

CCOC(=O)CCCOC1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4CC3=O

InChI

InChI=1S/C27H25NO6/c1-2-32-26(30)12-7-15-33-25-11-6-4-9-21(25)28-27(31)19-13-14-24-20(16-19)22(29)17-18-8-3-5-10-23(18)34-24/h3-6,8-11,13-14,16H,2,7,12,15,17H2,1H3,(H,28,31)