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

Systemtic Name: phenacyl 4-[3-(cycloheptylamino)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: phenacyl 4-[3-(cycloheptylamino)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-(cycloheptylamino)-2,5-dioxo-1-pyrrolidinyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-[3-(cycloheptylamino)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-(cycloheptylamino)-2,5-diketo-pyrrolidino]benzoic acid phenacyl ester Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCC(CC1)NC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O5/c29-23(18-8-4-3-5-9-18)17-33-26(32)19-12-14-21(15-13-19)28-24(30)16-22(25(28)31)27-20-10-6-1-2-7-11-20/h3-5,8-9,12-15,20,22,27H,1-2,6-7,10-11,16-17H2