methyl 4-[4-[(4S)-2,5-bis(oxidanylidene)-4-phenethyl-imidazolidin-4-yl]piperidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-[(4S)-2,5-bis(oxidanylidene)-4-phenethyl-imidazolidin-4-yl]piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-[(4S)-2,5-dioxo-4-phenethyl-imidazolidin-4-yl]piperidine-1-carbonyl]benzoate CAS Name: 4-[[4-[(4S)-2,5-dioxo-4-phenethyl-4-imidazolidinyl]-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(4S)-2,5-dioxo-4-phenethylimidazolidin-4-yl]piperidine-1-carbonyl]benzoate Traditional Name: 4-[4-[(4S)-2,5-diketo-4-phenethyl-imidazolidin-4-yl]piperidine-1-carbonyl]benzoic acid methyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCC(CC2)C3(C(=O)NC(=O)N3)CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCC(CC2)[C@]3(C(=O)NC(=O)N3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O5/c1-33-22(30)19-9-7-18(8-10-19)21(29)28-15-12-20(13-16-28)25(23(31)26-24(32)27-25)14-11-17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3,(H2,26,27,31,32)/t25-/m0/s1