6-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]phenyl]-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 6-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]phenyl]-1,3-benzodioxole-5-carboxylic acid Openeye Name: 6-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]phenyl]-1,3-benzodioxole-5-carboxylic acid CAS Name: 6-[2-[(6-carbamimidoyl-1-ethyl-3-indolyl)methyl]phenyl]-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 6-[2-[(6-carbamimidoyl-1-ethylindol-3-yl)methyl]phenyl]-1,3-benzodioxole-5-carboxylic acid Traditional Name: 6-[2-[(6-amidino-1-ethyl-indol-3-yl)methyl]phenyl]-piperonylic acid Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=CC=CC=C3C4=CC5=C(C=C4C(=O)O)OCO5

Isomeric SMILES

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=CC=CC=C3C4=CC5=C(C=C4C(=O)O)OCO5

InChI

InChI=1S/C26H23N3O4/c1-2-29-13-17(19-8-7-16(25(27)28)10-22(19)29)9-15-5-3-4-6-18(15)20-11-23-24(33-14-32-23)12-21(20)26(30)31/h3-8,10-13H,2,9,14H2,1H3,(H3,27,28)(H,30,31)