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

Systemtic Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(3-methylbutanoylamino)phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(5-carbamimidoylindolin-1-yl)methyl]-5-(3-methylbutanoylamino)phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-[(3-methyl-1-oxobutyl)amino]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(3-methylbutanoylamino)phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(5-amidinoindolin-1-yl)methyl]-5-(isovalerylamino)phenyl]-5-methoxy-benzoic acid Formula: C29H32N4O4 MolecularWeight: 500.58878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)CN2CCC3=C2C=CC(=C3)C(=N)N)C4=C(C=C(C=C4)OC)C(=O)O

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)CN2CCC3=C2C=CC(=C3)C(=N)N)C4=C(C=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C29H32N4O4/c1-17(2)12-27(34)32-21-6-4-20(16-33-11-10-18-13-19(28(30)31)5-9-26(18)33)24(14-21)23-8-7-22(37-3)15-25(23)29(35)36/h4-9,13-15,17H,10-12,16H2,1-3H3,(H3,30,31)(H,32,34)(H,35,36)