3-(4-propan-2-yloxyphenyl)-3-(9H-xanthen-9-ylcarbonylamino)propanoic acid

Systemtic Name: 3-(4-propan-2-yloxyphenyl)-3-(9H-xanthen-9-ylcarbonylamino)propanoic acid Openeye Name: 3-(4-isopropoxyphenyl)-3-(9H-xanthene-9-carbonylamino)propanoic acid CAS Name: 3-[[oxo(9H-xanthen-9-yl)methyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid IUPAC Name: 3-(4-propan-2-yloxyphenyl)-3-(9H-xanthene-9-carbonylamino)propanoic acid Traditional Name: 3-(4-isopropoxyphenyl)-3-(9H-xanthene-9-carbonylamino)propionic acid Formula: C26H25NO5 MolecularWeight: 431.4804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

InChI

InChI=1S/C26H25NO5/c1-16(2)31-18-13-11-17(12-14-18)21(15-24(28)29)27-26(30)25-19-7-3-5-9-22(19)32-23-10-6-4-8-20(23)25/h3-14,16,21,25H,15H2,1-2H3,(H,27,30)(H,28,29)