phenanthridin-6-ylmethyl 3-methoxy-4-prop-2-enoxy-benzoate

Systemtic Name: phenanthridin-6-ylmethyl 3-methoxy-4-prop-2-enoxy-benzoate Openeye Name: phenanthridin-6-ylmethyl 4-allyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-prop-2-enoxybenzoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 3-methoxy-4-prop-2-enoxybenzoate Traditional Name: 4-allyloxy-3-methoxy-benzoic acid phenanthridin-6-ylmethyl ester Formula: C25H21NO4 MolecularWeight: 399.43854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)OCC=C

InChI

InChI=1S/C25H21NO4/c1-3-14-29-23-13-12-17(15-24(23)28-2)25(27)30-16-22-20-10-5-4-8-18(20)19-9-6-7-11-21(19)26-22/h3-13,15H,1,14,16H2,2H3