2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethoxy-phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethoxy-phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethoxy-phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-ethoxyphenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethoxyphenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-ethoxy-phenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C28H30N4O5 MolecularWeight: 502.5616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NCC(C)C)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NCC(C)C)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C28H30N4O5/c1-4-37-20-10-12-21(23(14-20)27(34)32-19-8-5-17(6-9-19)25(29)30)22-11-7-18(13-24(22)28(35)36)26(33)31-15-16(2)3/h5-14,16H,4,15H2,1-3H3,(H3,29,30)(H,31,33)(H,32,34)(H,35,36)