3-[4-[2-(9H-xanthen-9-ylcarbonylamino)ethyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-(9H-xanthen-9-ylcarbonylamino)ethyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-(9H-xanthene-9-carbonylamino)ethyl]phenyl]propanoic acid CAS Name: 3-[4-[2-[[oxo(9H-xanthen-9-yl)methyl]amino]ethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(9H-xanthene-9-carbonylamino)ethyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-(9H-xanthene-9-carbonylamino)ethyl]phenyl]propionic acid Formula: C25H23NO4 MolecularWeight: 401.45442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NCCC4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NCCC4=CC=C(C=C4)CCC(=O)O

InChI

InChI=1S/C25H23NO4/c27-23(28)14-13-17-9-11-18(12-10-17)15-16-26-25(29)24-19-5-1-3-7-21(19)30-22-8-4-2-6-20(22)24/h1-12,24H,13-16H2,(H,26,29)(H,27,28)