[4-[bis(azanyl)methylideneamino]phenyl] 4-[(2-ethoxy-2-oxidanylidene-ethyl)-phenyl-carbamoyl]benzoate

Systemtic Name: [4-[bis(azanyl)methylideneamino]phenyl] 4-[(2-ethoxy-2-oxidanylidene-ethyl)-phenyl-carbamoyl]benzoate Openeye Name: (4-guanidinophenyl) 4-[(2-ethoxy-2-oxo-ethyl)-phenyl-carbamoyl]benzoate CAS Name: 4-[(N-(2-ethoxy-2-oxoethyl)anilino)-oxomethyl]benzoic acid [4-(diaminomethylideneamino)phenyl] ester IUPAC Name: [4-(diaminomethylideneamino)phenyl] 4-[(2-ethoxy-2-oxoethyl)-phenylcarbamoyl]benzoate Traditional Name: 4-[(2-ethoxy-2-keto-ethyl)-phenyl-carbamoyl]benzoic acid (4-guanidinophenyl) ester Formula: C25H24N4O5 MolecularWeight: 460.48186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)N=C(N)N

Isomeric SMILES

CCOC(=O)CN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)N=C(N)N

InChI

InChI=1S/C25H24N4O5/c1-2-33-22(30)16-29(20-6-4-3-5-7-20)23(31)17-8-10-18(11-9-17)24(32)34-21-14-12-19(13-15-21)28-25(26)27/h3-15H,2,16H2,1H3,(H4,26,27,28)