2-[2-[[5-carbamimidoyl-3-(hydroxymethyl)indol-1-yl]methyl]phenyl]-5-methoxy-benzoic acid

Systemtic Name: 2-[2-[[5-carbamimidoyl-3-(hydroxymethyl)indol-1-yl]methyl]phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[[5-carbamimidoyl-3-(hydroxymethyl)indol-1-yl]methyl]phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[[5-carbamimidoyl-3-(hydroxymethyl)-1-indolyl]methyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[[5-carbamimidoyl-3-(hydroxymethyl)indol-1-yl]methyl]phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(5-amidino-3-methylol-indol-1-yl)methyl]phenyl]-5-methoxy-benzoic acid Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O4/c1-32-18-7-8-20(22(11-18)25(30)31)19-5-3-2-4-16(19)12-28-13-17(14-29)21-10-15(24(26)27)6-9-23(21)28/h2-11,13,29H,12,14H2,1H3,(H3,26,27)(H,30,31)