2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]phenyl]-5-methoxy-benzoic acid

Systemtic Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-1-ethyl-3-indolyl)methyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(6-carbamimidoyl-1-ethylindol-3-yl)methyl]phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(6-amidino-1-ethyl-indol-3-yl)methyl]phenyl]-5-methoxy-benzoic acid Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=CC=CC=C3C4=C(C=C(C=C4)OC)C(=O)O

Isomeric SMILES

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=CC=CC=C3C4=C(C=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C26H25N3O3/c1-3-29-15-18(21-10-8-17(25(27)28)13-24(21)29)12-16-6-4-5-7-20(16)22-11-9-19(32-2)14-23(22)26(30)31/h4-11,13-15H,3,12H2,1-2H3,(H3,27,28)(H,30,31)