2-[2-[4-[7-[4-[bis(phenylmethyl)amino]cyclohexyl]oxynaphthalen-2-yl]oxyphenyl]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[4-[7-[4-[bis(phenylmethyl)amino]cyclohexyl]oxynaphthalen-2-yl]oxyphenyl]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[4-[[7-[4-(dibenzylamino)cyclohexoxy]-2-naphthyl]oxy]phenyl]acetyl]amino]benzoic acid CAS Name: 2-[[2-[4-[[7-[4-[bis(phenylmethyl)amino]cyclohexyl]oxy-2-naphthalenyl]oxy]phenyl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[4-[7-[4-(dibenzylamino)cyclohexyl]oxynaphthalen-2-yl]oxyphenyl]acetyl]amino]benzoic acid Traditional Name: 2-[[2-[4-[7-[4-(dibenzylamino)cyclohexoxy]-2-naphthoxy]phenyl]acetyl]amino]benzoic acid Formula: C45H42N2O5 MolecularWeight: 690.82538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N(CC2=CC=CC=C2)CC3=CC=CC=C3)OC4=CC5=C(C=C4)C=CC(=C5)OC6=CC=C(C=C6)CC(=O)NC7=CC=CC=C7C(=O)O

Isomeric SMILES

C1CC(CCC1N(CC2=CC=CC=C2)CC3=CC=CC=C3)OC4=CC5=C(C=C4)C=CC(=C5)OC6=CC=C(C=C6)CC(=O)NC7=CC=CC=C7C(=O)O

InChI

InChI=1S/C45H42N2O5/c48-44(46-43-14-8-7-13-42(43)45(49)50)27-32-15-21-38(22-16-32)51-40-23-17-35-18-24-41(29-36(35)28-40)52-39-25-19-37(20-26-39)47(30-33-9-3-1-4-10-33)31-34-11-5-2-6-12-34/h1-18,21-24,28-29,37,39H,19-20,25-27,30-31H2,(H,46,48)(H,49,50)