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

Systemtic Name: 2-hydroxyethyl 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]benzoate Openeye Name: 2-hydroxyethyl 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]benzoate CAS Name: 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-9-xanthenyl]benzoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 2-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]benzoate Traditional Name: 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]benzoic acid 2-hydroxyethyl ester Formula: C28H30N2O4 MolecularWeight: 458.5488

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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)OCCO)C)C

Isomeric SMILES

CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2C4=CC=CC=C4C(=O)OCCO)C)C

InChI

InChI=1S/C28H30N2O4/c1-5-29-23-15-25-21(13-17(23)3)27(19-9-7-8-10-20(19)28(32)33-12-11-31)22-14-18(4)24(30-6-2)16-26(22)34-25/h7-10,13-16,29,31H,5-6,11-12H2,1-4H3