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

Systemtic Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(methylcarbamoyl)phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(5-carbamimidoylindolin-1-yl)methyl]-5-(methylcarbamoyl)phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(methylcarbamoyl)phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(methylcarbamoyl)phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(5-amidinoindolin-1-yl)methyl]-5-(methylcarbamoyl)phenyl]-5-methoxy-benzoic acid Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=C(C=C1)CN2CCC3=C2C=CC(=C3)C(=N)N)C4=C(C=C(C=C4)OC)C(=O)O

Isomeric SMILES

CNC(=O)C1=CC(=C(C=C1)CN2CCC3=C2C=CC(=C3)C(=N)N)C4=C(C=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C26H26N4O4/c1-29-25(31)17-3-4-18(14-30-10-9-15-11-16(24(27)28)5-8-23(15)30)21(12-17)20-7-6-19(34-2)13-22(20)26(32)33/h3-8,11-13H,9-10,14H2,1-2H3,(H3,27,28)(H,29,31)(H,32,33)