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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(phenethylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(phenethylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[oxo-(phenethylamino)methyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(phenethylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(phenethylcarbamoyl)benzoic acid Formula: C30H26N4O4 MolecularWeight: 506.55184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C30H26N4O4/c31-27(32)20-10-13-22(14-11-20)34-29(36)25-9-5-4-8-23(25)24-15-12-21(18-26(24)30(37)38)28(35)33-17-16-19-6-2-1-3-7-19/h1-15,18H,16-17H2,(H3,31,32)(H,33,35)(H,34,36)(H,37,38)