(phenylmethyl) 3-carbamimidoyl-4-[4-[4-[2-(diphenylmethyl)oxy-2-oxidanylidene-1-phenyl-ethyl]-2,3-bis(oxidanylidene)piperazin-1-yl]butoxy]benzoate

Systemtic Name: (phenylmethyl) 3-carbamimidoyl-4-[4-[4-[2-(diphenylmethyl)oxy-2-oxidanylidene-1-phenyl-ethyl]-2,3-bis(oxidanylidene)piperazin-1-yl]butoxy]benzoate Openeye Name: benzyl 4-[4-[4-(2-benzhydryloxy-2-oxo-1-phenyl-ethyl)-2,3-dioxo-piperazin-1-yl]butoxy]-3-carbamimidoyl-benzoate CAS Name: 3-carbamimidoyl-4-[4-[4-[2-(diphenylmethyl)oxy-2-oxo-1-phenylethyl]-2,3-dioxo-1-piperazinyl]butoxy]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-[4-(2-benzhydryloxy-2-oxo-1-phenylethyl)-2,3-dioxopiperazin-1-yl]butoxy]-3-carbamimidoylbenzoate Traditional Name: 3-amidino-4-[4-[4-(2-benzhydryloxy-2-keto-1-phenyl-ethyl)-2,3-diketo-piperazino]butoxy]benzoic acid benzyl ester Formula: C44H42N4O7 MolecularWeight: 738.82688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1CCCCOC2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3)C(=N)N)C(C4=CC=CC=C4)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(C(=O)C(=O)N1CCCCOC2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3)C(=N)N)C(C4=CC=CC=C4)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C44H42N4O7/c45-40(46)36-29-35(43(51)54-30-31-15-5-1-6-16-31)23-24-37(36)53-28-14-13-25-47-26-27-48(42(50)41(47)49)38(32-17-7-2-8-18-32)44(52)55-39(33-19-9-3-10-20-33)34-21-11-4-12-22-34/h1-12,15-24,29,38-39H,13-14,25-28,30H2,(H3,45,46)