3-methoxy-4-[[1-methyl-5-(phenethylcarbamoyl)indol-3-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[1-methyl-5-(phenethylcarbamoyl)indol-3-yl]methyl]benzoic acid Openeye Name: 3-methoxy-4-[[1-methyl-5-(phenethylcarbamoyl)indol-3-yl]methyl]benzoic acid CAS Name: 3-methoxy-4-[[1-methyl-5-[oxo-(phenethylamino)methyl]-3-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[1-methyl-5-(phenethylcarbamoyl)indol-3-yl]methyl]benzoic acid Traditional Name: 3-methoxy-4-[[1-methyl-5-(phenethylcarbamoyl)indol-3-yl]methyl]benzoic acid Formula: C27H26N2O4 MolecularWeight: 442.50634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)C(=O)NCCC3=CC=CC=C3)CC4=C(C=C(C=C4)C(=O)O)OC

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)C(=O)NCCC3=CC=CC=C3)CC4=C(C=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C27H26N2O4/c1-29-17-22(14-19-8-9-21(27(31)32)16-25(19)33-2)23-15-20(10-11-24(23)29)26(30)28-13-12-18-6-4-3-5-7-18/h3-11,15-17H,12-14H2,1-2H3,(H,28,30)(H,31,32)