ethyl 2-[3-(1-azanylethyl)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]benzoate

Systemtic Name: ethyl 2-[3-(1-azanylethyl)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]benzoate Openeye Name: ethyl 2-[3-(1-aminoethyl)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]benzoate CAS Name: 2-[3-(1-aminoethyl)-6-ethylimino-2,7-dimethyl-9-xanthenyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[3-(1-aminoethyl)-6-ethylimino-2,7-dimethylxanthen-9-yl]benzoate Traditional Name: 2-[3-(1-aminoethyl)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]benzoic acid ethyl ester Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C1C=C2C(=C(C3=CC(=C(C=C3O2)C(C)N)C)C4=CC=CC=C4C(=O)OCC)C=C1C

Isomeric SMILES

CCN=C1C=C2C(=C(C3=CC(=C(C=C3O2)C(C)N)C)C4=CC=CC=C4C(=O)OCC)C=C1C

InChI

InChI=1S/C28H30N2O3/c1-6-30-24-15-26-23(13-17(24)4)27(19-10-8-9-11-20(19)28(31)32-7-2)22-12-16(3)21(18(5)29)14-25(22)33-26/h8-15,18H,6-7,29H2,1-5H3