2-[[2-(1H-indol-4-yl)-1,3-benzoxazol-5-yl]methoxycarbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-(1H-indol-4-yl)-1,3-benzoxazol-5-yl]methoxycarbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(1H-indol-4-yl)-1,3-benzoxazol-5-yl]methoxycarbonylamino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-(1H-indol-4-yl)-1,3-benzoxazol-5-yl]methoxy-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(1H-indol-4-yl)-1,3-benzoxazol-5-yl]methoxycarbonylamino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(1H-indol-4-yl)-1,3-benzoxazol-5-yl]methoxycarbonylamino]-3-phenyl-propionic acid Formula: C26H21N3O5 MolecularWeight: 455.46204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2=CC3=C(C=C2)OC(=N3)C4=C5C=CNC5=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2=CC3=C(C=C2)OC(=N3)C4=C5C=CNC5=CC=C4

InChI

InChI=1S/C26H21N3O5/c30-25(31)22(13-16-5-2-1-3-6-16)29-26(32)33-15-17-9-10-23-21(14-17)28-24(34-23)19-7-4-8-20-18(19)11-12-27-20/h1-12,14,22,27H,13,15H2,(H,29,32)(H,30,31)