2-[2-[(6-carbamimidoyl-1-methyl-indol-3-yl)methyl]phenyl]-5-methoxy-benzoic acid

Systemtic Name: 2-[2-[(6-carbamimidoyl-1-methyl-indol-3-yl)methyl]phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-1-methyl-indol-3-yl)methyl]phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-1-methyl-3-indolyl)methyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(6-carbamimidoyl-1-methylindol-3-yl)methyl]phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(6-amidino-1-methyl-indol-3-yl)methyl]phenyl]-5-methoxy-benzoic acid Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=CC=CC=C3C4=C(C=C(C=C4)OC)C(=O)O

Isomeric SMILES

CN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=CC=CC=C3C4=C(C=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C25H23N3O3/c1-28-14-17(20-9-7-16(24(26)27)12-23(20)28)11-15-5-3-4-6-19(15)21-10-8-18(31-2)13-22(21)25(29)30/h3-10,12-14H,11H2,1-2H3,(H3,26,27)(H,29,30)