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

Systemtic Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(phenethylcarbamoyl)phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(5-carbamimidoylindolin-1-yl)methyl]-5-(phenethylcarbamoyl)phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-[oxo-(phenethylamino)methyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(phenethylcarbamoyl)phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(5-amidinoindolin-1-yl)methyl]-5-(phenethylcarbamoyl)phenyl]-5-methoxy-benzoic acid Formula: C33H32N4O4 MolecularWeight: 548.63158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=CC(=C2)C(=O)NCCC3=CC=CC=C3)CN4CCC5=C4C=CC(=C5)C(=N)N)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=CC(=C2)C(=O)NCCC3=CC=CC=C3)CN4CCC5=C4C=CC(=C5)C(=N)N)C(=O)O

InChI

InChI=1S/C33H32N4O4/c1-41-26-10-11-27(29(19-26)33(39)40)28-18-24(32(38)36-15-13-21-5-3-2-4-6-21)7-8-25(28)20-37-16-14-22-17-23(31(34)35)9-12-30(22)37/h2-12,17-19H,13-16,20H2,1H3,(H3,34,35)(H,36,38)(H,39,40)