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

Systemtic Name: phenyl 4-[bis(azanyl)methylideneamino]-2-[4-(2-ethoxy-2-oxidanylidene-ethyl)piperazin-1-yl]carbonyl-benzoate Openeye Name: phenyl 2-[4-(2-ethoxy-2-oxo-ethyl)piperazine-1-carbonyl]-4-guanidino-benzoate CAS Name: 4-(diaminomethylideneamino)-2-[[4-(2-ethoxy-2-oxoethyl)-1-piperazinyl]-oxomethyl]benzoic acid phenyl ester IUPAC Name: phenyl 4-(diaminomethylideneamino)-2-[4-(2-ethoxy-2-oxoethyl)piperazine-1-carbonyl]benzoate Traditional Name: 2-[4-(2-ethoxy-2-keto-ethyl)piperazine-1-carbonyl]-4-guanidino-benzoic acid phenyl ester Formula: C23H27N5O5 MolecularWeight: 453.49098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)C(=O)C2=C(C=CC(=C2)N=C(N)N)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)C(=O)C2=C(C=CC(=C2)N=C(N)N)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C23H27N5O5/c1-2-32-20(29)15-27-10-12-28(13-11-27)21(30)19-14-16(26-23(24)25)8-9-18(19)22(31)33-17-6-4-3-5-7-17/h3-9,14H,2,10-13,15H2,1H3,(H4,24,25,26)