2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-4-methoxy-phenyl]benzoic acid

Systemtic Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-4-methoxy-phenyl]benzoic acid Openeye Name: 2-[2-[(5-carbamimidoylindolin-1-yl)methyl]-4-methoxy-phenyl]benzoic acid CAS Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-4-methoxyphenyl]benzoic acid IUPAC Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-4-methoxyphenyl]benzoic acid Traditional Name: 2-[2-[(5-amidinoindolin-1-yl)methyl]-4-methoxy-phenyl]benzoic acid Formula: C24H23N3O3 MolecularWeight: 401.45772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)O)CN3CCC4=C3C=CC(=C4)C(=N)N

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)O)CN3CCC4=C3C=CC(=C4)C(=N)N

InChI

InChI=1S/C24H23N3O3/c1-30-18-7-8-19(20-4-2-3-5-21(20)24(28)29)17(13-18)14-27-11-10-15-12-16(23(25)26)6-9-22(15)27/h2-9,12-13H,10-11,14H2,1H3,(H3,25,26)(H,28,29)