3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1,3-dioxo-2-phenethyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenethyl-5-isoindolecarboxylic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1,3-dioxo-2-phenethylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenethyl-isoindoline-5-carboxylic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C27H23N3O5 MolecularWeight: 469.48862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCCCN4C5=CC=CC=C5NC4=O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCCCN4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C27H23N3O5/c31-24-20-12-11-19(17-21(20)25(32)30(24)15-13-18-7-2-1-3-8-18)26(33)35-16-6-14-29-23-10-5-4-9-22(23)28-27(29)34/h1-5,7-12,17H,6,13-16H2,(H,28,34)