tert-butyl 4-[3-[2,3-bis(oxidanylidene)piperazin-1-yl]propoxy]-3-carbamimidoyl-benzoate

Systemtic Name: tert-butyl 4-[3-[2,3-bis(oxidanylidene)piperazin-1-yl]propoxy]-3-carbamimidoyl-benzoate Openeye Name: tert-butyl 3-carbamimidoyl-4-[3-(2,3-dioxopiperazin-1-yl)propoxy]benzoate CAS Name: 3-carbamimidoyl-4-[3-(2,3-dioxo-1-piperazinyl)propoxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-carbamimidoyl-4-[3-(2,3-dioxopiperazin-1-yl)propoxy]benzoate Traditional Name: 3-amidino-4-[3-(2,3-diketopiperazino)propoxy]benzoic acid tert-butyl ester Formula: C19H26N4O5 MolecularWeight: 390.43354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)OCCCN2CCNC(=O)C2=O)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)OCCCN2CCNC(=O)C2=O)C(=N)N

InChI

InChI=1S/C19H26N4O5/c1-19(2,3)28-18(26)12-5-6-14(13(11-12)15(20)21)27-10-4-8-23-9-7-22-16(24)17(23)25/h5-6,11H,4,7-10H2,1-3H3,(H3,20,21)(H,22,24)