phenacyl 4-[3-(azepan-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: phenacyl 4-[3-(azepan-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: phenacyl 4-[3-(azepan-1-yl)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-(1-azepanyl)-2,5-dioxo-1-pyrrolidinyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-[3-(azepan-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-(azepan-1-yl)-2,5-diketo-pyrrolidino]benzoic acid phenacyl ester Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O5/c28-22(18-8-4-3-5-9-18)17-32-25(31)19-10-12-20(13-11-19)27-23(29)16-21(24(27)30)26-14-6-1-2-7-15-26/h3-5,8-13,21H,1-2,6-7,14-17H2