3-phenyl-2-(9H-xanthen-9-ylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-phenyl-2-(9H-xanthen-9-ylmethoxycarbonylamino)propanoic acid Openeye Name: 3-phenyl-2-(9H-xanthen-9-ylmethoxycarbonylamino)propanoic acid CAS Name: 2-[[oxo(9H-xanthen-9-ylmethoxy)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-(9H-xanthen-9-ylmethoxycarbonylamino)propanoic acid Traditional Name: 3-phenyl-2-(9H-xanthen-9-ylmethoxycarbonylamino)propionic acid Formula: C24H21NO5 MolecularWeight: 403.42724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3OC4=CC=CC=C24

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3OC4=CC=CC=C24

InChI

InChI=1S/C24H21NO5/c26-23(27)20(14-16-8-2-1-3-9-16)25-24(28)29-15-19-17-10-4-6-12-21(17)30-22-13-7-5-11-18(19)22/h1-13,19-20H,14-15H2,(H,25,28)(H,26,27)