2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]-5-(6-oxidanylhexylcarbamoyl)benzoic acid

Systemtic Name: 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]-5-(6-oxidanylhexylcarbamoyl)benzoic acid Openeye Name: 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]-5-(6-hydroxyhexylcarbamoyl)benzoic acid CAS Name: 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-9-xanthenyl]-5-[(6-hydroxyhexylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]-5-(6-hydroxyhexylcarbamoyl)benzoic acid Traditional Name: 2-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]-5-(6-hydroxyhexylcarbamoyl)benzoic acid Formula: C33H39N3O5 MolecularWeight: 557.67986

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2C4=C(C=C(C=C4)C(=O)NCCCCCCO)C(=O)O)C)C

Isomeric SMILES

CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2C4=C(C=C(C=C4)C(=O)NCCCCCCO)C(=O)O)C)C

InChI

InChI=1S/C33H39N3O5/c1-5-34-27-18-29-25(15-20(27)3)31(26-16-21(4)28(35-6-2)19-30(26)41-29)23-12-11-22(17-24(23)33(39)40)32(38)36-13-9-7-8-10-14-37/h11-12,15-19,34,37H,5-10,13-14H2,1-4H3,(H,36,38)(H,39,40)