2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(4,4-dimethyloxolan-3-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(4,4-dimethyloxolan-3-yl)carbamoyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(4,4-dimethyltetrahydrofuran-3-yl)carbamoyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[[(4,4-dimethyl-3-oxolanyl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(4,4-dimethyloxolan-3-yl)carbamoyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-[(4,4-dimethyltetrahydrofuran-3-yl)carbamoyl]benzoic acid Formula: C28H28N4O5 MolecularWeight: 500.54572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(COCC1NC(=O)C2=CC(=C(C=C2)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O)C

Isomeric SMILES

CC1(COCC1NC(=O)C2=CC(=C(C=C2)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O)C

InChI

InChI=1S/C28H28N4O5/c1-28(2)15-37-14-23(28)32-25(33)17-9-12-20(22(13-17)27(35)36)19-5-3-4-6-21(19)26(34)31-18-10-7-16(8-11-18)24(29)30/h3-13,23H,14-15H2,1-2H3,(H3,29,30)(H,31,34)(H,32,33)(H,35,36)