ethyl 4-[[N,N'-bis[(1R)-1-phenylethyl]carbamimidoyl]amino]benzoate

Systemtic Name: ethyl 4-[[N,N'-bis[(1R)-1-phenylethyl]carbamimidoyl]amino]benzoate Openeye Name: ethyl 4-[[N,N'-bis[(1R)-1-phenylethyl]carbamimidoyl]amino]benzoate CAS Name: 4-[[[[(1R)-1-phenylethyl]amino]-[(1R)-1-phenylethyl]iminomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[N,N'-bis[(1R)-1-phenylethyl]carbamimidoyl]amino]benzoate Traditional Name: 4-[[N,N'-bis[(1R)-1-phenylethyl]amidino]amino]benzoic acid ethyl ester Formula: C26H29N3O2 MolecularWeight: 415.52736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=NC(C)C2=CC=CC=C2)NC(C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=N[C@H](C)C2=CC=CC=C2)N[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C26H29N3O2/c1-4-31-25(30)23-15-17-24(18-16-23)29-26(27-19(2)21-11-7-5-8-12-21)28-20(3)22-13-9-6-10-14-22/h5-20H,4H2,1-3H3,(H2,27,28,29)/t19-,20-/m1/s1