2-[6-[(4-carbamimidoylphenyl)carbamoyl]-2,3-dihydro-1H-inden-5-yl]benzoic acid

Systemtic Name: 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-2,3-dihydro-1H-inden-5-yl]benzoic acid Openeye Name: 2-[6-[(4-carbamimidoylphenyl)carbamoyl]indan-5-yl]benzoic acid CAS Name: 2-[6-[(4-carbamimidoylanilino)-oxomethyl]-2,3-dihydro-1H-inden-5-yl]benzoic acid IUPAC Name: 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-2,3-dihydro-1H-inden-5-yl]benzoic acid Traditional Name: 2-[6-[(4-amidinophenyl)carbamoyl]indan-5-yl]benzoic acid Formula: C24H21N3O3 MolecularWeight: 399.44184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C(=C2)C3=CC=CC=C3C(=O)O)C(=O)NC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CC2=C(C1)C=C(C(=C2)C3=CC=CC=C3C(=O)O)C(=O)NC4=CC=C(C=C4)C(=N)N

InChI

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