methyl (2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxidanylidene-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-9-yl]-3-phenyl-propanoate

Systemtic Name: methyl (2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxidanylidene-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-9-yl]-3-phenyl-propanoate Openeye Name: methyl (2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-9-yl]-3-phenyl-propanoate CAS Name: (2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-9-yl]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-9-yl]-3-phenylpropanoate Traditional Name: (2R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-2-methyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-9-yl]-3-phenyl-propionic acid methyl ester Formula: C30H28NO7+ MolecularWeight: 514.54582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C3=C(C=C2)OC[NH+](C3)C(CC4=CC=CC=C4)C(=O)OC)C5=CC6=C(C=C5)OCCO6

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C3=C(C=C2)OC[NH+](C3)[C@H](CC4=CC=CC=C4)C(=O)OC)C5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C30H27NO7/c1-18-27(20-8-10-25-26(15-20)36-13-12-35-25)28(32)21-9-11-24-22(29(21)38-18)16-31(17-37-24)23(30(33)34-2)14-19-6-4-3-5-7-19/h3-11,15,23H,12-14,16-17H2,1-2H3/p+1/t23-/m1/s1