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

Systemtic Name: ethyl 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]benzoate; methanol; hydrochloride Openeye Name: ethyl 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]benzoate; methanol; hydrochloride CAS Name: 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-9-xanthenyl]benzoic acid ethyl ester; methanol; hydrochloride IUPAC Name: ethyl 2-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]benzoate; methanol; hydrochloride Traditional Name: 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]benzoic acid ethyl ester; methanol; hydrochloride Formula: C29H35ClN2O4 MolecularWeight: 511.0522

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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.CO.Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O3.CH4O.ClH/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;1-2;/h9-16,29H,6-8H2,1-5H3;2H,1H3;1H