phenanthridin-6-ylmethyl 5-methyl-2-oxidanyl-benzoate

Systemtic Name: phenanthridin-6-ylmethyl 5-methyl-2-oxidanyl-benzoate Openeye Name: phenanthridin-6-ylmethyl 2-hydroxy-5-methyl-benzoate CAS Name: 2-hydroxy-5-methylbenzoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 2-hydroxy-5-methylbenzoate Traditional Name: 2-hydroxy-5-methyl-benzoic acid phenanthridin-6-ylmethyl ester Formula: C22H17NO3 MolecularWeight: 343.37528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42

InChI

InChI=1S/C22H17NO3/c1-14-10-11-21(24)18(12-14)22(25)26-13-20-17-8-3-2-6-15(17)16-7-4-5-9-19(16)23-20/h2-12,24H,13H2,1H3