phenyl 4-[bis(azanyl)methylideneamino]-2-[4-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazin-1-yl]carbonyl-benzoate

Systemtic Name: phenyl 4-[bis(azanyl)methylideneamino]-2-[4-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazin-1-yl]carbonyl-benzoate Openeye Name: phenyl 2-[4-(2-anilino-2-oxo-ethyl)piperazine-1-carbonyl]-4-guanidino-benzoate CAS Name: 2-[[4-(2-anilino-2-oxoethyl)-1-piperazinyl]-oxomethyl]-4-(diaminomethylideneamino)benzoic acid phenyl ester IUPAC Name: phenyl 2-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]-4-(diaminomethylideneamino)benzoate Traditional Name: 2-[4-(2-anilino-2-keto-ethyl)piperazine-1-carbonyl]-4-guanidino-benzoic acid phenyl ester Formula: C27H28N6O4 MolecularWeight: 500.54902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)N=C(N)N)C(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)N=C(N)N)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C27H28N6O4/c28-27(29)31-20-11-12-22(26(36)37-21-9-5-2-6-10-21)23(17-20)25(35)33-15-13-32(14-16-33)18-24(34)30-19-7-3-1-4-8-19/h1-12,17H,13-16,18H2,(H,30,34)(H4,28,29,31)