(3R)-3-(4-cyclopentyloxyphenyl)-3-(9H-xanthen-9-ylcarbonylamino)propanoate

Systemtic Name: (3R)-3-(4-cyclopentyloxyphenyl)-3-(9H-xanthen-9-ylcarbonylamino)propanoate Openeye Name: (3R)-3-[4-(cyclopentoxy)phenyl]-3-(9H-xanthene-9-carbonylamino)propanoate CAS Name: (3R)-3-(4-cyclopentyloxyphenyl)-3-[[oxo(9H-xanthen-9-yl)methyl]amino]propanoate IUPAC Name: (3R)-3-(4-cyclopentyloxyphenyl)-3-(9H-xanthene-9-carbonylamino)propanoate Traditional Name: (3R)-3-[4-(cyclopentoxy)phenyl]-3-(9H-xanthene-9-carbonylamino)propionate Formula: C28H26NO5- MolecularWeight: 456.50974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=C(C=C2)C(CC(=O)[O-])NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C1CCC(C1)OC2=CC=C(C=C2)[C@@H](CC(=O)[O-])NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C28H27NO5/c30-26(31)17-23(18-13-15-20(16-14-18)33-19-7-1-2-8-19)29-28(32)27-21-9-3-5-11-24(21)34-25-12-6-4-10-22(25)27/h3-6,9-16,19,23,27H,1-2,7-8,17H2,(H,29,32)(H,30,31)/p-1/t23-/m1/s1