2-[3-(dimethylamino)-6-ethylimino-xanthen-9-yl]-5-(2,2-dimethylpropanoyl)benzoate

Systemtic Name: 2-[3-(dimethylamino)-6-ethylimino-xanthen-9-yl]-5-(2,2-dimethylpropanoyl)benzoate Openeye Name: 2-[3-(dimethylamino)-6-ethylimino-xanthen-9-yl]-5-(2,2-dimethylpropanoyl)benzoate CAS Name: 2-[3-(dimethylamino)-6-ethylimino-9-xanthenyl]-5-(2,2-dimethyl-1-oxopropyl)benzoate IUPAC Name: 2-[3-(dimethylamino)-6-ethyliminoxanthen-9-yl]-5-(2,2-dimethylpropanoyl)benzoate Traditional Name: 2-[3-(dimethylamino)-6-ethylimino-xanthen-9-yl]-5-pivaloyl-benzoate Formula: C29H29N2O4- MolecularWeight: 469.55156

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C1C=CC2=C(C3=C(C=C(C=C3)N(C)C)OC2=C1)C4=C(C=C(C=C4)C(=O)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CCN=C1C=CC2=C(C3=C(C=C(C=C3)N(C)C)OC2=C1)C4=C(C=C(C=C4)C(=O)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C29H30N2O4/c1-7-30-18-9-12-21-24(15-18)35-25-16-19(31(5)6)10-13-22(25)26(21)20-11-8-17(14-23(20)28(33)34)27(32)29(2,3)4/h8-16H,7H2,1-6H3,(H,33,34)/p-1