N-[2-[1-[(4-carbamimidoylphenyl)amino]-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-4,5-dimethoxy-phenyl]carbamate ethanoate

Systemtic Name: N-[2-[1-[(4-carbamimidoylphenyl)amino]-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-4,5-dimethoxy-phenyl]carbamate ethanoate Openeye Name: N-[2-[2-(benzylamino)-1-(4-carbamimidoylanilino)-2-oxo-ethyl]-4,5-dimethoxy-phenyl]carbamate acetate CAS Name: N-[2-[1-(4-carbamimidoylanilino)-2-oxo-2-[(phenylmethyl)amino]ethyl]-4,5-dimethoxyphenyl]carbamate acetate IUPAC Name: N-[2-[2-(benzylamino)-1-(4-carbamimidoylanilino)-2-oxoethyl]-4,5-dimethoxyphenyl]carbamate acetate Traditional Name: N-[2-[1-(4-amidinoanilino)-2-(benzylamino)-2-keto-ethyl]-4,5-dimethoxy-phenyl]carbamate acetate Formula: C27H29N5O7-2 MolecularWeight: 535.54846

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].COC1=C(C=C(C(=C1)C(C(=O)NCC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)NC(=O)[O-])OC

Isomeric SMILES

CC(=O)[O-].COC1=C(C=C(C(=C1)C(C(=O)NCC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)NC(=O)[O-])OC

InChI

InChI=1S/C25H27N5O5.C2H4O2/c1-34-20-12-18(19(30-25(32)33)13-21(20)35-2)22(24(31)28-14-15-6-4-3-5-7-15)29-17-10-8-16(9-11-17)23(26)27;1-2(3)4/h3-13,22,29-30H,14H2,1-2H3,(H3,26,27)(H,28,31)(H,32,33);1H3,(H,3,4)/p-2