2-[[3-(1H-indol-3-yl)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3-(1H-indol-3-yl)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-benzyloxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[3-(1H-indol-3-yl)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-(1H-indol-3-yl)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-benzoxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-3-phenyl-propionic acid Formula: C27H26N2O4 MolecularWeight: 442.50634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(CC2=CNC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(CC2=CNC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O4/c30-26(31)24(15-19-9-3-1-4-10-19)29-25(27(32)33-18-20-11-5-2-6-12-20)16-21-17-28-23-14-8-7-13-22(21)23/h1-14,17,24-25,28-29H,15-16,18H2,(H,30,31)