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

Systemtic Name: phenyl 2-[4-(2-acetamidoethyl)piperazin-1-yl]carbonyl-4-[bis(azanyl)methylideneamino]benzoate Openeye Name: phenyl 2-[4-(2-acetamidoethyl)piperazine-1-carbonyl]-4-guanidino-benzoate CAS Name: 2-[[4-(2-acetamidoethyl)-1-piperazinyl]-oxomethyl]-4-(diaminomethylideneamino)benzoic acid phenyl ester IUPAC Name: phenyl 2-[4-(2-acetamidoethyl)piperazine-1-carbonyl]-4-(diaminomethylideneamino)benzoate Traditional Name: 2-[4-(2-acetamidoethyl)piperazine-1-carbonyl]-4-guanidino-benzoic acid phenyl ester Formula: C23H28N6O4 MolecularWeight: 452.50622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCN1CCN(CC1)C(=O)C2=C(C=CC(=C2)N=C(N)N)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCN1CCN(CC1)C(=O)C2=C(C=CC(=C2)N=C(N)N)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C23H28N6O4/c1-16(30)26-9-10-28-11-13-29(14-12-28)21(31)20-15-17(27-23(24)25)7-8-19(20)22(32)33-18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3,(H,26,30)(H4,24,25,27)