(phenylmethyl) 3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-2-phenyl-propanoate

Systemtic Name: (phenylmethyl) 3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-2-phenyl-propanoate Openeye Name: benzyl 3-(4-carbamimidoylanilino)-3-oxo-2-phenyl-propanoate CAS Name: 3-(4-carbamimidoylanilino)-3-oxo-2-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(4-carbamimidoylanilino)-3-oxo-2-phenylpropanoate Traditional Name: 3-(4-amidinoanilino)-3-keto-2-phenyl-propionic acid benzyl ester Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H21N3O3/c24-21(25)18-11-13-19(14-12-18)26-22(27)20(17-9-5-2-6-10-17)23(28)29-15-16-7-3-1-4-8-16/h1-14,20H,15H2,(H3,24,25)(H,26,27)