2-[9-[bis(3-ethoxy-3-oxidanylidene-propyl)amino]-5-oxidanylidene-benzo[a]phenoxazin-2-yl]oxyethanoic acid

Systemtic Name: 2-[9-[bis(3-ethoxy-3-oxidanylidene-propyl)amino]-5-oxidanylidene-benzo[a]phenoxazin-2-yl]oxyethanoic acid Openeye Name: 2-[9-[bis(3-ethoxy-3-oxo-propyl)amino]-5-oxo-benzo[a]phenoxazin-2-yl]oxyacetic acid CAS Name: 2-[[9-[bis(3-ethoxy-3-oxopropyl)amino]-5-oxo-2-benzo[a]phenoxazinyl]oxy]acetic acid IUPAC Name: 2-[9-[bis(3-ethoxy-3-oxopropyl)amino]-5-oxobenzo[a]phenoxazin-2-yl]oxyacetic acid Traditional Name: 2-[9-[bis(3-ethoxy-3-keto-propyl)amino]-5-keto-benzo[a]phenoxazin-2-yl]oxyacetic acid Formula: C28H28N2O9 MolecularWeight: 536.52992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CCC(=O)OCC)C1=CC2=C(C=C1)N=C3C(=CC(=O)C4=C3C=C(C=C4)OCC(=O)O)O2

Isomeric SMILES

CCOC(=O)CCN(CCC(=O)OCC)C1=CC2=C(C=C1)N=C3C(=CC(=O)C4=C3C=C(C=C4)OCC(=O)O)O2

InChI

InChI=1S/C28H28N2O9/c1-3-36-26(34)9-11-30(12-10-27(35)37-4-2)17-5-8-21-23(13-17)39-24-15-22(31)19-7-6-18(38-16-25(32)33)14-20(19)28(24)29-21/h5-8,13-15H,3-4,9-12,16H2,1-2H3,(H,32,33)