5-oxidanylpentyl 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethanoate

Systemtic Name: 5-oxidanylpentyl 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethanoate Openeye Name: 5-hydroxypentyl 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]acetate CAS Name: 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]acetic acid 5-hydroxypentyl ester IUPAC Name: 5-hydroxypentyl 2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]acetate Traditional Name: 2-[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]acetic acid 5-hydroxypentyl ester Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C3=C(N2)C=C(C=C3)C(=N)N)CC(=O)OCCCCCO)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=C(C3=C(N2)C=C(C=C3)C(=N)N)CC(=O)OCCCCCO)C(=N)N

InChI

InChI=1S/C23H27N5O3/c24-22(25)15-6-4-14(5-7-15)21-18(13-20(30)31-11-3-1-2-10-29)17-9-8-16(23(26)27)12-19(17)28-21/h4-9,12,28-29H,1-3,10-11,13H2,(H3,24,25)(H3,26,27)