phenanthridin-6-ylmethyl 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: phenanthridin-6-ylmethyl 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: phenanthridin-6-ylmethyl 2-(3-methoxypropyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methoxypropyl)-1,3-dioxo-5-isoindolecarboxylic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-methoxypropyl)isoindoline-5-carboxylic acid phenanthridin-6-ylmethyl ester Formula: C27H22N2O5 MolecularWeight: 454.47398

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4C5=CC=CC=C53

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4C5=CC=CC=C53

InChI

InChI=1S/C27H22N2O5/c1-33-14-6-13-29-25(30)21-12-11-17(15-22(21)26(29)31)27(32)34-16-24-20-9-3-2-7-18(20)19-8-4-5-10-23(19)28-24/h2-5,7-12,15H,6,13-14,16H2,1H3