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

Systemtic Name: 2-[2-[1-(6-carbamimidoyl-1H-indol-3-yl)-2-pyridin-3-yl-ethyl]phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[1-(6-carbamimidoyl-1H-indol-3-yl)-2-(3-pyridyl)ethyl]phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[1-(6-carbamimidoyl-1H-indol-3-yl)-2-(3-pyridinyl)ethyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[1-(6-carbamimidoyl-1H-indol-3-yl)-2-pyridin-3-ylethyl]phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[1-(6-amidino-1H-indol-3-yl)-2-(3-pyridyl)ethyl]phenyl]-5-methoxy-benzoic acid Formula: C30H26N4O3 MolecularWeight: 490.55244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC=CC=C2C(CC3=CN=CC=C3)C4=CNC5=C4C=CC(=C5)C(=N)N)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC=CC=C2C(CC3=CN=CC=C3)C4=CNC5=C4C=CC(=C5)C(=N)N)C(=O)O

InChI

InChI=1S/C30H26N4O3/c1-37-20-9-11-23(26(15-20)30(35)36)21-6-2-3-7-22(21)25(13-18-5-4-12-33-16-18)27-17-34-28-14-19(29(31)32)8-10-24(27)28/h2-12,14-17,25,34H,13H2,1H3,(H3,31,32)(H,35,36)