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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxy-phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-methoxy-4-vinyl-phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-ethenyl-5-methoxyphenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-5-methoxy-4-vinyl-phenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C29H30N4O5 MolecularWeight: 514.5723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC(=C(C=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C=C)OC)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC(=C(C=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C=C)OC)C(=O)O

InChI

InChI=1S/C29H30N4O5/c1-5-17-12-23(28(35)33-20-9-6-18(7-10-20)26(30)31)22(14-25(17)38-4)21-11-8-19(13-24(21)29(36)37)27(34)32-15-16(2)3/h5-14,16H,1,15H2,2-4H3,(H3,30,31)(H,32,34)(H,33,35)(H,36,37)