methyl 2-[3-bromanyl-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-oxidanyl-phenyl]ethanoate

Systemtic Name: methyl 2-[3-bromanyl-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-oxidanyl-phenyl]ethanoate Openeye Name: methyl 2-[3-(3-benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-bromo-4-hydroxy-phenyl]acetate CAS Name: 2-[3-bromo-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-hydroxyphenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(3-benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-bromo-4-hydroxyphenyl]acetate Traditional Name: 2-[3-(5-amidino-3-benzyl-1H-indol-2-yl)-5-bromo-4-hydroxy-phenyl]acetic acid methyl ester Formula: C25H22BrN3O3 MolecularWeight: 492.36448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=C(C(=C1)C2=C(C3=C(N2)C=CC(=C3)C(=N)N)CC4=CC=CC=C4)O)Br

Isomeric SMILES

COC(=O)CC1=CC(=C(C(=C1)C2=C(C3=C(N2)C=CC(=C3)C(=N)N)CC4=CC=CC=C4)O)Br

InChI

InChI=1S/C25H22BrN3O3/c1-32-22(30)12-15-10-19(24(31)20(26)11-15)23-18(9-14-5-3-2-4-6-14)17-13-16(25(27)28)7-8-21(17)29-23/h2-8,10-11,13,29,31H,9,12H2,1H3,(H3,27,28)