2-[(6E)-3-azanyl-6-morpholin-4-ylcarbonylimino-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[(6E)-3-azanyl-6-morpholin-4-ylcarbonylimino-xanthen-9-yl]benzoic acid Openeye Name: 2-[(6E)-3-amino-6-(morpholine-4-carbonylimino)xanthen-9-yl]benzoic acid CAS Name: 2-[(6E)-3-amino-6-[4-morpholinyl(oxo)methyl]imino-9-xanthenyl]benzoic acid IUPAC Name: 2-[(6E)-3-amino-6-(morpholine-4-carbonylimino)xanthen-9-yl]benzoic acid Traditional Name: 2-[(6E)-3-amino-6-(morpholine-4-carbonylimino)xanthen-9-yl]benzoic acid Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)N=C2C=CC3=C(C4=C(C=C(C=C4)N)OC3=C2)C5=CC=CC=C5C(=O)O

Isomeric SMILES

C1COCCN1C(=O)/N=C/2\C=CC3=C(C4=C(C=C(C=C4)N)OC3=C2)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C25H21N3O5/c26-15-5-7-19-21(13-15)33-22-14-16(27-25(31)28-9-11-32-12-10-28)6-8-20(22)23(19)17-3-1-2-4-18(17)24(29)30/h1-8,13-14H,9-12,26H2,(H,29,30)/b27-16+