4-[[[4-(2-ethoxycarbonyl-1H-indol-5-yl)pyridin-2-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[4-(2-ethoxycarbonyl-1H-indol-5-yl)pyridin-2-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[4-(2-ethoxycarbonyl-1H-indol-5-yl)pyridine-2-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[4-(2-ethoxycarbonyl-1H-indol-5-yl)-2-pyridinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-(2-ethoxycarbonyl-1H-indol-5-yl)pyridine-2-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[4-(2-carbethoxy-1H-indol-5-yl)picolinoyl]amino]methyl]benzoic acid Formula: C25H21N3O5 MolecularWeight: 443.45134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C3=CC(=NC=C3)C(=O)NCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C3=CC(=NC=C3)C(=O)NCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H21N3O5/c1-2-33-25(32)22-13-19-11-17(7-8-20(19)28-22)18-9-10-26-21(12-18)23(29)27-14-15-3-5-16(6-4-15)24(30)31/h3-13,28H,2,14H2,1H3,(H,27,29)(H,30,31)