ethyl 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]benzoate dihydrochloride

Systemtic Name: ethyl 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]benzoate dihydrochloride Openeye Name: ethyl 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]benzoate dihydrochloride CAS Name: 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-9-xanthenyl]benzoic acid ethyl ester dihydrochloride IUPAC Name: ethyl 2-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]benzoate dihydrochloride Traditional Name: 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]benzoic acid ethyl ester dihydrochloride Formula: C28H32Cl2N2O3 MolecularWeight: 515.47128

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2C4=CC=CC=C4C(=O)OCC)C)C.Cl.Cl

Isomeric SMILES

CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2C4=CC=CC=C4C(=O)OCC)C)C.Cl.Cl

InChI

InChI=1S/C28H30N2O3.2ClH/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;;/h9-16,29H,6-8H2,1-5H3;2*1H