ethyl 3-(1,3-benzodioxol-5-yl)-3-[5-(4-carbamimidoylphenyl)pentanoylamino]propanoate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-3-[5-(4-carbamimidoylphenyl)pentanoylamino]propanoate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-3-[5-(4-carbamimidoylphenyl)pentanoylamino]propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-3-[5-(4-carbamimidoylphenyl)pentanoylamino]propanoate Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-3-(1,3-benzodioxol-5-yl)propionic acid ethyl ester Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC2=C(C=C1)OCO2)NC(=O)CCCCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CC(C1=CC2=C(C=C1)OCO2)NC(=O)CCCCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H29N3O5/c1-2-30-23(29)14-19(18-11-12-20-21(13-18)32-15-31-20)27-22(28)6-4-3-5-16-7-9-17(10-8-16)24(25)26/h7-13,19H,2-6,14-15H2,1H3,(H3,25,26)(H,27,28)