2-[3-(acetyloxymethyl)phenyl]-6-[(2-phenylcyclopropyl)carbonylamino]-1H-indole-4-carboxylic acid

Systemtic Name: 2-[3-(acetyloxymethyl)phenyl]-6-[(2-phenylcyclopropyl)carbonylamino]-1H-indole-4-carboxylic acid Openeye Name: 2-[3-(acetoxymethyl)phenyl]-6-[(2-phenylcyclopropanecarbonyl)amino]-1H-indole-4-carboxylic acid CAS Name: 2-[3-(acetyloxymethyl)phenyl]-6-[[oxo-(2-phenylcyclopropyl)methyl]amino]-1H-indole-4-carboxylic acid IUPAC Name: 2-[3-(acetyloxymethyl)phenyl]-6-[(2-phenylcyclopropanecarbonyl)amino]-1H-indole-4-carboxylic acid Traditional Name: 2-[3-(acetoxymethyl)phenyl]-6-[(2-phenylcyclopropanecarbonyl)amino]-1H-indole-4-carboxylic acid Formula: C28H24N2O5 MolecularWeight: 468.50056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=CC(=C1)C2=CC3=C(N2)C=C(C=C3C(=O)O)NC(=O)C4CC4C5=CC=CC=C5

Isomeric SMILES

CC(=O)OCC1=CC=CC(=C1)C2=CC3=C(N2)C=C(C=C3C(=O)O)NC(=O)C4CC4C5=CC=CC=C5

InChI

InChI=1S/C28H24N2O5/c1-16(31)35-15-17-6-5-9-19(10-17)25-14-22-24(28(33)34)11-20(12-26(22)30-25)29-27(32)23-13-21(23)18-7-3-2-4-8-18/h2-12,14,21,23,30H,13,15H2,1H3,(H,29,32)(H,33,34)