4-[(3S)-3-[4-[(4-ethoxy-1-ethyl-indol-2-yl)carbonylamino]phenoxy]pyrrolidin-1-yl]benzoic acid

Systemtic Name: 4-[(3S)-3-[4-[(4-ethoxy-1-ethyl-indol-2-yl)carbonylamino]phenoxy]pyrrolidin-1-yl]benzoic acid Openeye Name: 4-[(3S)-3-[4-[(4-ethoxy-1-ethyl-indole-2-carbonyl)amino]phenoxy]pyrrolidin-1-yl]benzoic acid CAS Name: 4-[(3S)-3-[4-[[(4-ethoxy-1-ethyl-2-indolyl)-oxomethyl]amino]phenoxy]-1-pyrrolidinyl]benzoic acid IUPAC Name: 4-[(3S)-3-[4-[(4-ethoxy-1-ethylindole-2-carbonyl)amino]phenoxy]pyrrolidin-1-yl]benzoic acid Traditional Name: 4-[(3S)-3-[4-[(4-ethoxy-1-ethyl-indole-2-carbonyl)amino]phenoxy]pyrrolidino]benzoic acid Formula: C30H31N3O5 MolecularWeight: 513.58424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C1C(=O)NC3=CC=C(C=C3)OC4CCN(C4)C5=CC=C(C=C5)C(=O)O)C(=CC=C2)OCC

Isomeric SMILES

CCN1C2=C(C=C1C(=O)NC3=CC=C(C=C3)O[C@H]4CCN(C4)C5=CC=C(C=C5)C(=O)O)C(=CC=C2)OCC

InChI

InChI=1S/C30H31N3O5/c1-3-33-26-6-5-7-28(37-4-2)25(26)18-27(33)29(34)31-21-10-14-23(15-11-21)38-24-16-17-32(19-24)22-12-8-20(9-13-22)30(35)36/h5-15,18,24H,3-4,16-17,19H2,1-2H3,(H,31,34)(H,35,36)/t24-/m0/s1