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

Systemtic Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(propylcarbamoyl)phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(5-carbamimidoylindolin-1-yl)methyl]-5-(propylcarbamoyl)phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-[oxo(propylamino)methyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(propylcarbamoyl)phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(5-amidinoindolin-1-yl)methyl]-5-(propylcarbamoyl)phenyl]-5-methoxy-benzoic acid Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=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

CCCNC(=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/C28H30N4O4/c1-3-11-31-27(33)19-4-5-20(16-32-12-10-17-13-18(26(29)30)6-9-25(17)32)23(14-19)22-8-7-21(36-2)15-24(22)28(34)35/h4-9,13-15H,3,10-12,16H2,1-2H3,(H3,29,30)(H,31,33)(H,34,35)