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

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

Systemtic Name:2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]phenyl]benzoic acid
Openeye Name:2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]phenyl]benzoic acid
CAS Name:2-[2-[(6-carbamimidoyl-1-ethyl-3-indolyl)methyl]phenyl]benzoic acid
IUPAC Name:2-[2-[(6-carbamimidoyl-1-ethylindol-3-yl)methyl]phenyl]benzoic acid
Traditional Name:2-[2-[(6-amidino-1-ethyl-indol-3-yl)methyl]phenyl]benzoic acid
Formula: C25H23N3O2
MolecularWeight: 397.46902
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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=CC=CC=C3C4=CC=CC=C4C(=O)O


Isomeric SMILES

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=CC=CC=C3C4=CC=CC=C4C(=O)O


InChI

InChI=1S/C25H23N3O2/c1-2-28-15-18(20-12-11-17(24(26)27)14-23(20)28)13-16-7-3-4-8-19(16)21-9-5-6-10-22(21)25(29)30/h3-12,14-15H,2,13H2,1H3,(H3,26,27)(H,29,30)


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