(phenylmethyl) 5-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-2,2-dimethyl-3H-1-benzofuran-6-carboxylate

Systemtic Name: (phenylmethyl) 5-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-2,2-dimethyl-3H-1-benzofuran-6-carboxylate Openeye Name: benzyl 5-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-2,2-dimethyl-3H-benzofuran-6-carboxylate CAS Name: 5-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-2,2-dimethyl-3H-benzofuran-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-2,2-dimethyl-3H-1-benzofuran-6-carboxylate Traditional Name: 5-[2-[(4-amidinophenyl)carbamoyl]phenyl]-2,2-dimethyl-coumaran-6-carboxylic acid benzyl ester Formula: C32H29N3O4 MolecularWeight: 519.59036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C=C(C(=C2)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)OCC5=CC=CC=C5)C

Isomeric SMILES

CC1(CC2=C(O1)C=C(C(=C2)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)OCC5=CC=CC=C5)C

InChI

InChI=1S/C32H29N3O4/c1-32(2)18-22-16-26(27(17-28(22)39-32)31(37)38-19-20-8-4-3-5-9-20)24-10-6-7-11-25(24)30(36)35-23-14-12-21(13-15-23)29(33)34/h3-17H,18-19H2,1-2H3,(H3,33,34)(H,35,36)