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

Systemtic Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]phenyl]-6-methyl-benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]phenyl]-6-methyl-benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-1-ethyl-3-indolyl)methyl]phenyl]-6-methylbenzoic acid IUPAC Name: 2-[2-[(6-carbamimidoyl-1-ethylindol-3-yl)methyl]phenyl]-6-methylbenzoic acid Traditional Name: 2-[2-[(6-amidino-1-ethyl-indol-3-yl)methyl]phenyl]-6-methyl-benzoic acid Formula: C26H25N3O2 MolecularWeight: 411.4956

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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(=CC=C4)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O2/c1-3-29-15-19(21-12-11-18(25(27)28)14-23(21)29)13-17-8-4-5-9-20(17)22-10-6-7-16(2)24(22)26(30)31/h4-12,14-15H,3,13H2,1-2H3,(H3,27,28)(H,30,31)