2-[2-[(5-carbamimidoylindol-1-yl)methyl]phenyl]-5-methoxy-benzoic acid

Systemtic Name: 2-[2-[(5-carbamimidoylindol-1-yl)methyl]phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(5-carbamimidoylindol-1-yl)methyl]phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(5-carbamimidoyl-1-indolyl)methyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(5-carbamimidoylindol-1-yl)methyl]phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(5-amidinoindol-1-yl)methyl]phenyl]-5-methoxy-benzoic acid Formula: C24H21N3O3 MolecularWeight: 399.44184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC=CC=C2CN3C=CC4=C3C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC=CC=C2CN3C=CC4=C3C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C24H21N3O3/c1-30-18-7-8-20(21(13-18)24(28)29)19-5-3-2-4-17(19)14-27-11-10-15-12-16(23(25)26)6-9-22(15)27/h2-13H,14H2,1H3,(H3,25,26)(H,28,29)