2-[2-[4-[6-(4-azanylcyclohexyl)oxynaphthalen-2-yl]oxyphenyl]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[4-[6-(4-azanylcyclohexyl)oxynaphthalen-2-yl]oxyphenyl]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[4-[[6-(4-aminocyclohexoxy)-2-naphthyl]oxy]phenyl]acetyl]amino]benzoic acid CAS Name: 2-[[2-[4-[[6-(4-aminocyclohexyl)oxy-2-naphthalenyl]oxy]phenyl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[4-[6-(4-aminocyclohexyl)oxynaphthalen-2-yl]oxyphenyl]acetyl]amino]benzoic acid Traditional Name: 2-[[2-[4-[6-(4-aminocyclohexoxy)-2-naphthoxy]phenyl]acetyl]amino]benzoic acid Formula: C31H30N2O5 MolecularWeight: 510.5803

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)OC2=CC3=C(C=C2)C=C(C=C3)OC4=CC=C(C=C4)CC(=O)NC5=CC=CC=C5C(=O)O

Isomeric SMILES

C1CC(CCC1N)OC2=CC3=C(C=C2)C=C(C=C3)OC4=CC=C(C=C4)CC(=O)NC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C31H30N2O5/c32-23-9-15-25(16-10-23)38-27-14-8-21-18-26(13-7-22(21)19-27)37-24-11-5-20(6-12-24)17-30(34)33-29-4-2-1-3-28(29)31(35)36/h1-8,11-14,18-19,23,25H,9-10,15-17,32H2,(H,33,34)(H,35,36)