3-ethoxycarbonyl-4-[3-(ethylamino)-6-ethylimino-xanthen-9-yl]benzoic acid

Systemtic Name: 3-ethoxycarbonyl-4-[3-(ethylamino)-6-ethylimino-xanthen-9-yl]benzoic acid Openeye Name: 3-ethoxycarbonyl-4-[3-(ethylamino)-6-ethylimino-xanthen-9-yl]benzoic acid CAS Name: 3-ethoxycarbonyl-4-[3-(ethylamino)-6-ethylimino-9-xanthenyl]benzoic acid IUPAC Name: 3-ethoxycarbonyl-4-[3-(ethylamino)-6-ethyliminoxanthen-9-yl]benzoic acid Traditional Name: 3-carbethoxy-4-[3-(ethylamino)-6-ethylimino-xanthen-9-yl]benzoic acid Formula: C27H26N2O5 MolecularWeight: 458.50574

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC2=C(C=C1)C(=C3C=CC(=NCC)C=C3O2)C4=C(C=C(C=C4)C(=O)O)C(=O)OCC

Isomeric SMILES

CCNC1=CC2=C(C=C1)C(=C3C=CC(=NCC)C=C3O2)C4=C(C=C(C=C4)C(=O)O)C(=O)OCC

InChI

InChI=1S/C27H26N2O5/c1-4-28-17-8-11-20-23(14-17)34-24-15-18(29-5-2)9-12-21(24)25(20)19-10-7-16(26(30)31)13-22(19)27(32)33-6-3/h7-15,28H,4-6H2,1-3H3,(H,30,31)