2-[2-[1-(4-carbamimidoylphenyl)-2-methoxy-2-oxidanylidene-ethyl]-5-methoxy-phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-[1-(4-carbamimidoylphenyl)-2-methoxy-2-oxidanylidene-ethyl]-5-methoxy-phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[1-(4-carbamimidoylphenyl)-2-methoxy-2-oxo-ethyl]-5-methoxy-phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[1-(4-carbamimidoylphenyl)-2-methoxy-2-oxoethyl]-5-methoxyphenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[1-(4-carbamimidoylphenyl)-2-methoxy-2-oxoethyl]-5-methoxyphenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[1-(4-amidinophenyl)-2-keto-2-methoxy-ethyl]-5-methoxy-phenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C29H31N3O6 MolecularWeight: 517.57294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(C=CC(=C2)OC)C(C3=CC=C(C=C3)C(=N)N)C(=O)OC)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(C=CC(=C2)OC)C(C3=CC=C(C=C3)C(=N)N)C(=O)OC)C(=O)O

InChI

InChI=1S/C29H31N3O6/c1-16(2)15-32-27(33)19-9-11-21(24(13-19)28(34)35)23-14-20(37-3)10-12-22(23)25(29(36)38-4)17-5-7-18(8-6-17)26(30)31/h5-14,16,25H,15H2,1-4H3,(H3,30,31)(H,32,33)(H,34,35)