[2-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-5-ethyl-3-propyl-phenyl] 2-[(4-carbamimidoylphenyl)amino]ethanoate

Systemtic Name: [2-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-5-ethyl-3-propyl-phenyl] 2-[(4-carbamimidoylphenyl)amino]ethanoate Openeye Name: [2-[2-(azepan-1-yl)-2-oxo-ethoxy]-5-ethyl-3-propyl-phenyl] 2-(4-carbamimidoylanilino)acetate CAS Name: 2-(4-carbamimidoylanilino)acetic acid [2-[2-(1-azepanyl)-2-oxoethoxy]-5-ethyl-3-propylphenyl] ester IUPAC Name: [2-[2-(azepan-1-yl)-2-oxoethoxy]-5-ethyl-3-propylphenyl] 2-(4-carbamimidoylanilino)acetate Traditional Name: 2-(4-amidinoanilino)acetic acid [2-[2-(azepan-1-yl)-2-keto-ethoxy]-5-ethyl-3-propyl-phenyl] ester Formula: C28H38N4O4 MolecularWeight: 494.62572

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)CC)OC(=O)CNC2=CC=C(C=C2)C(=N)N)OCC(=O)N3CCCCCC3

Isomeric SMILES

CCCC1=C(C(=CC(=C1)CC)OC(=O)CNC2=CC=C(C=C2)C(=N)N)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C28H38N4O4/c1-3-9-22-16-20(4-2)17-24(27(22)35-19-25(33)32-14-7-5-6-8-15-32)36-26(34)18-31-23-12-10-21(11-13-23)28(29)30/h10-13,16-17,31H,3-9,14-15,18-19H2,1-2H3,(H3,29,30)