[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl] 2-azanyl-3-phenyl-propanoate

Systemtic Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl] 2-azanyl-3-phenyl-propanoate Openeye Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-hydroxy-4-oxo-chromen-7-yl] 2-amino-3-phenyl-propanoate CAS Name: 2-amino-3-phenylpropanoic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-hydroxy-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-hydroxy-4-oxochromen-7-yl] 2-amino-3-phenylpropanoate Traditional Name: 2-amino-3-phenyl-propionic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-hydroxy-4-keto-chromen-7-yl] ester Formula: C27H23NO7 MolecularWeight: 473.47402

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=COC4=CC(=CC(=C4C3=O)O)OC(=O)C(CC5=CC=CC=C5)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=COC4=CC(=CC(=C4C3=O)O)OC(=O)C(CC5=CC=CC=C5)N)OC1

InChI

InChI=1S/C27H23NO7/c28-20(11-16-5-2-1-3-6-16)27(31)35-18-13-21(29)25-24(14-18)34-15-19(26(25)30)17-7-8-22-23(12-17)33-10-4-9-32-22/h1-3,5-8,12-15,20,29H,4,9-11,28H2