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

Systemtic Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]phenyl]-5-chloranyl-benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]phenyl]-5-chloro-benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-1-ethyl-3-indolyl)methyl]phenyl]-5-chlorobenzoic acid IUPAC Name: 2-[2-[(6-carbamimidoyl-1-ethylindol-3-yl)methyl]phenyl]-5-chlorobenzoic acid Traditional Name: 2-[2-[(6-amidino-1-ethyl-indol-3-yl)methyl]phenyl]-5-chloro-benzoic acid Formula: C25H22ClN3O2 MolecularWeight: 431.91408

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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)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN3O2/c1-2-29-14-17(20-9-7-16(24(27)28)12-23(20)29)11-15-5-3-4-6-19(15)21-10-8-18(26)13-22(21)25(30)31/h3-10,12-14H,2,11H2,1H3,(H3,27,28)(H,30,31)