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

Systemtic Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]phenyl]-6-methyl-pyridine-3-carboxylic acid Openeye Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]phenyl]-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-[2-[(6-carbamimidoyl-1-ethyl-3-indolyl)methyl]phenyl]-6-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[(6-carbamimidoyl-1-ethylindol-3-yl)methyl]phenyl]-6-methylpyridine-3-carboxylic acid Traditional Name: 2-[2-[(6-amidino-1-ethyl-indol-3-yl)methyl]phenyl]-6-methyl-nicotinic acid Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=CC=CC=C3C4=C(C=CC(=N4)C)C(=O)O

Isomeric SMILES

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=CC=CC=C3C4=C(C=CC(=N4)C)C(=O)O

InChI

InChI=1S/C25H24N4O2/c1-3-29-14-18(19-11-9-17(24(26)27)13-22(19)29)12-16-6-4-5-7-20(16)23-21(25(30)31)10-8-15(2)28-23/h4-11,13-14H,3,12H2,1-2H3,(H3,26,27)(H,30,31)