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

Systemtic Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(cyclopropylmethylcarbamoyl)phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(5-carbamimidoylindolin-1-yl)methyl]-5-(cyclopropylmethylcarbamoyl)phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-[(cyclopropylmethylamino)-oxomethyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(cyclopropylmethylcarbamoyl)phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(5-amidinoindolin-1-yl)methyl]-5-(cyclopropylmethylcarbamoyl)phenyl]-5-methoxy-benzoic acid Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=CC(=C2)C(=O)NCC3CC3)CN4CCC5=C4C=CC(=C5)C(=N)N)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=CC(=C2)C(=O)NCC3CC3)CN4CCC5=C4C=CC(=C5)C(=N)N)C(=O)O

InChI

InChI=1S/C29H30N4O4/c1-37-22-7-8-23(25(14-22)29(35)36)24-13-20(28(34)32-15-17-2-3-17)4-5-21(24)16-33-11-10-18-12-19(27(30)31)6-9-26(18)33/h4-9,12-14,17H,2-3,10-11,15-16H2,1H3,(H3,30,31)(H,32,34)(H,35,36)