5-[1-[(4-carbamimidoylphenyl)amino]-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-2,3-dimethoxy-benzoate

Systemtic Name: 5-[1-[(4-carbamimidoylphenyl)amino]-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-2,3-dimethoxy-benzoate Openeye Name: 5-[2-(benzylamino)-1-(4-carbamimidoylanilino)-2-oxo-ethyl]-2,3-dimethoxy-benzoate CAS Name: 5-[1-(4-carbamimidoylanilino)-2-oxo-2-[(phenylmethyl)amino]ethyl]-2,3-dimethoxybenzoate IUPAC Name: 5-[2-(benzylamino)-1-(4-carbamimidoylanilino)-2-oxoethyl]-2,3-dimethoxybenzoate Traditional Name: 5-[1-(4-amidinoanilino)-2-(benzylamino)-2-keto-ethyl]-2,3-dimethoxy-benzoate Formula: C25H25N4O5- MolecularWeight: 461.4898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O5/c1-33-20-13-17(12-19(25(31)32)22(20)34-2)21(24(30)28-14-15-6-4-3-5-7-15)29-18-10-8-16(9-11-18)23(26)27/h3-13,21,29H,14H2,1-2H3,(H3,26,27)(H,28,30)(H,31,32)/p-1