2-[(4-chlorophenyl)carbonylamino]-3-(6-phenylmethoxy-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[(4-chlorophenyl)carbonylamino]-3-(6-phenylmethoxy-1H-indol-3-yl)propanoic acid Openeye Name: 3-(6-benzyloxy-1H-indol-3-yl)-2-[(4-chlorobenzoyl)amino]propanoic acid CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-3-(6-phenylmethoxy-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[(4-chlorobenzoyl)amino]-3-(6-phenylmethoxy-1H-indol-3-yl)propanoic acid Traditional Name: 3-(6-benzoxy-1H-indol-3-yl)-2-[(4-chlorobenzoyl)amino]propionic acid Formula: C25H21ClN2O4 MolecularWeight: 448.89824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=CN3)CC(C(=O)O)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=CN3)CC(C(=O)O)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H21ClN2O4/c26-19-8-6-17(7-9-19)24(29)28-23(25(30)31)12-18-14-27-22-13-20(10-11-21(18)22)32-15-16-4-2-1-3-5-16/h1-11,13-14,23,27H,12,15H2,(H,28,29)(H,30,31)