3-(2-azanyl-1,3-benzodioxol-5-yl)propanoyl 5-(4-carbamimidoylphenyl)pentanoate

Systemtic Name: 3-(2-azanyl-1,3-benzodioxol-5-yl)propanoyl 5-(4-carbamimidoylphenyl)pentanoate Openeye Name: 3-(2-amino-1,3-benzodioxol-5-yl)propanoyl 5-(4-carbamimidoylphenyl)pentanoate CAS Name: 5-(4-carbamimidoylphenyl)pentanoic acid [3-(2-amino-1,3-benzodioxol-5-yl)-1-oxopropyl] ester IUPAC Name: 3-(2-amino-1,3-benzodioxol-5-yl)propanoyl 5-(4-carbamimidoylphenyl)pentanoate Traditional Name: 5-(4-amidinophenyl)valeric acid 3-(2-amino-1,3-benzodioxol-5-yl)propanoyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCC(=O)OC(=O)CCC2=CC3=C(C=C2)OC(O3)N)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCCCC(=O)OC(=O)CCC2=CC3=C(C=C2)OC(O3)N)C(=N)N

InChI

InChI=1S/C22H25N3O5/c23-21(24)16-9-5-14(6-10-16)3-1-2-4-19(26)30-20(27)12-8-15-7-11-17-18(13-15)29-22(25)28-17/h5-7,9-11,13,22H,1-4,8,12,25H2,(H3,23,24)