1-[(3-carbamimidoylphenyl)methyl]-5-phenylmethoxy-indole-2-carboxylic acid

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-5-phenylmethoxy-indole-2-carboxylic acid Openeye Name: 5-benzyloxy-1-[(3-carbamimidoylphenyl)methyl]indole-2-carboxylic acid CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-5-phenylmethoxy-2-indolecarboxylic acid IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-5-phenylmethoxyindole-2-carboxylic acid Traditional Name: 1-(3-amidinobenzyl)-5-benzoxy-indole-2-carboxylic acid Formula: C24H21N3O3 MolecularWeight: 399.44184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C24H21N3O3/c25-23(26)18-8-4-7-17(11-18)14-27-21-10-9-20(12-19(21)13-22(27)24(28)29)30-15-16-5-2-1-3-6-16/h1-13H,14-15H2,(H3,25,26)(H,28,29)