2-[2-(6-carbamimidoylnaphthalen-2-yl)oxy-5-[(2-chlorophenyl)carbamoylamino]phenyl]benzoic acid

Systemtic Name: 2-[2-(6-carbamimidoylnaphthalen-2-yl)oxy-5-[(2-chlorophenyl)carbamoylamino]phenyl]benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-2-naphthyl)oxy]-5-[(2-chlorophenyl)carbamoylamino]phenyl]benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-2-naphthalenyl)oxy]-5-[[(2-chloroanilino)-oxomethyl]amino]phenyl]benzoic acid IUPAC Name: 2-[2-(6-carbamimidoylnaphthalen-2-yl)oxy-5-[(2-chlorophenyl)carbamoylamino]phenyl]benzoic acid Traditional Name: 2-[2-(6-amidino-2-naphthoxy)-5-[(2-chlorophenyl)carbamoylamino]phenyl]benzoic acid Formula: C31H23ClN4O4 MolecularWeight: 550.99172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3Cl)OC4=CC5=C(C=C4)C=C(C=C5)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3Cl)OC4=CC5=C(C=C4)C=C(C=C5)C(=N)N)C(=O)O

InChI

InChI=1S/C31H23ClN4O4/c32-26-7-3-4-8-27(26)36-31(39)35-21-12-14-28(25(17-21)23-5-1-2-6-24(23)30(37)38)40-22-13-11-18-15-20(29(33)34)10-9-19(18)16-22/h1-17H,(H3,33,34)(H,37,38)(H2,35,36,39)