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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-ethoxy-phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-ethoxy-4-vinyl-phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-ethenyl-5-ethoxyphenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-ethoxyphenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-5-ethoxy-4-vinyl-phenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C30H32N4O5 MolecularWeight: 528.59888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=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)C=C

Isomeric SMILES

CCOC1=C(C=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)C=C

InChI

InChI=1S/C30H32N4O5/c1-5-18-13-24(29(36)34-21-10-7-19(8-11-21)27(31)32)23(15-26(18)39-6-2)22-12-9-20(14-25(22)30(37)38)28(35)33-16-17(3)4/h5,7-15,17H,1,6,16H2,2-4H3,(H3,31,32)(H,33,35)(H,34,36)(H,37,38)