[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 4-[3-[4-(diphenylmethyl)piperazin-1-yl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 4-[3-[4-(diphenylmethyl)piperazin-1-yl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-ethyl] 4-[3-(4-benzhydrylpiperazin-1-yl)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[4-(diphenylmethyl)-1-piperazinyl]-2,5-dioxo-1-pyrrolidinyl]benzoic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxoethyl] 4-[3-(4-benzhydrylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-(4-benzhydrylpiperazino)-2,5-diketo-pyrrolidino]benzoic acid [2-keto-2-(4-methoxyphenyl)ethyl] ester Formula: C37H35N3O6 MolecularWeight: 617.6903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)CC(C3=O)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)CC(C3=O)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C37H35N3O6/c1-45-31-18-14-26(15-19-31)33(41)25-46-37(44)29-12-16-30(17-13-29)40-34(42)24-32(36(40)43)38-20-22-39(23-21-38)35(27-8-4-2-5-9-27)28-10-6-3-7-11-28/h2-19,32,35H,20-25H2,1H3