2-[6-carbamimidoyl-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[6-carbamimidoyl-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[6-carbamimidoyl-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1H-indol-3-yl]acetic acid CAS Name: 2-[6-carbamimidoyl-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[6-carbamimidoyl-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1H-indol-3-yl]acetic acid Traditional Name: 2-[6-amidino-2-[4-(2-imidazolin-2-yl)phenyl]-1H-indol-3-yl]acetic acid Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)C2=CC=C(C=C2)C3=C(C4=C(N3)C=C(C=C4)C(=N)N)CC(=O)O

Isomeric SMILES

C1CN=C(N1)C2=CC=C(C=C2)C3=C(C4=C(N3)C=C(C=C4)C(=N)N)CC(=O)O

InChI

InChI=1S/C20H19N5O2/c21-19(22)13-5-6-14-15(10-17(26)27)18(25-16(14)9-13)11-1-3-12(4-2-11)20-23-7-8-24-20/h1-6,9,25H,7-8,10H2,(H3,21,22)(H,23,24)(H,26,27)