2-[5-[aminocarbonyl(cyclohexyl)amino]-2-(6-carbamimidoylnaphthalen-2-yl)oxy-phenyl]benzoic acid

Systemtic Name: 2-[5-[aminocarbonyl(cyclohexyl)amino]-2-(6-carbamimidoylnaphthalen-2-yl)oxy-phenyl]benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-2-naphthyl)oxy]-5-[carbamoyl(cyclohexyl)amino]phenyl]benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-2-naphthalenyl)oxy]-5-[carbamoyl(cyclohexyl)amino]phenyl]benzoic acid IUPAC Name: 2-[2-(6-carbamimidoylnaphthalen-2-yl)oxy-5-[carbamoyl(cyclohexyl)amino]phenyl]benzoic acid Traditional Name: 2-[2-(6-amidino-2-naphthoxy)-5-[carbamoyl(cyclohexyl)amino]phenyl]benzoic acid Formula: C31H30N4O4 MolecularWeight: 522.5943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2=CC(=C(C=C2)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N)C5=CC=CC=C5C(=O)O)C(=O)N

Isomeric SMILES

C1CCC(CC1)N(C2=CC(=C(C=C2)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N)C5=CC=CC=C5C(=O)O)C(=O)N

InChI

InChI=1S/C31H30N4O4/c32-29(33)21-11-10-20-17-24(14-12-19(20)16-21)39-28-15-13-23(35(31(34)38)22-6-2-1-3-7-22)18-27(28)25-8-4-5-9-26(25)30(36)37/h4-5,8-18,22H,1-3,6-7H2,(H3,32,33)(H2,34,38)(H,36,37)