[(4-carbamimidoylphenyl)amino] 2-[5-ethyl-2-(2-hydroxyethyloxy)-3-(2-phenylethynyl)phenyl]ethanoate

Systemtic Name: [(4-carbamimidoylphenyl)amino] 2-[5-ethyl-2-(2-hydroxyethyloxy)-3-(2-phenylethynyl)phenyl]ethanoate Openeye Name: (4-carbamimidoylanilino) 2-[5-ethyl-2-(2-hydroxyethoxy)-3-(2-phenylethynyl)phenyl]acetate CAS Name: 2-[5-ethyl-2-(2-hydroxyethoxy)-3-(2-phenylethynyl)phenyl]acetic acid (4-carbamimidoylanilino) ester IUPAC Name: (4-carbamimidoylanilino) 2-[5-ethyl-2-(2-hydroxyethoxy)-3-(2-phenylethynyl)phenyl]acetate Traditional Name: 2-[5-ethyl-2-(2-hydroxyethoxy)-3-(2-phenylethynyl)phenyl]acetic acid (4-amidinoanilino) ester Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)C#CC2=CC=CC=C2)OCCO)CC(=O)ONC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCC1=CC(=C(C(=C1)C#CC2=CC=CC=C2)OCCO)CC(=O)ONC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C27H27N3O4/c1-2-19-16-22(9-8-20-6-4-3-5-7-20)26(33-15-14-31)23(17-19)18-25(32)34-30-24-12-10-21(11-13-24)27(28)29/h3-7,10-13,16-17,30-31H,2,14-15,18H2,1H3,(H3,28,29)