2-[4-[2-(naphthalen-2-yloxymethyl)-3-(phenylcarbonyl)-5-phenylmethoxy-indol-1-yl]butanoylamino]benzoic acid

Systemtic Name: 2-[4-[2-(naphthalen-2-yloxymethyl)-3-(phenylcarbonyl)-5-phenylmethoxy-indol-1-yl]butanoylamino]benzoic acid Openeye Name: 2-[4-[3-benzoyl-5-benzyloxy-2-(2-naphthyloxymethyl)indol-1-yl]butanoylamino]benzoic acid CAS Name: 2-[[4-[3-benzoyl-2-(2-naphthalenyloxymethyl)-5-phenylmethoxy-1-indolyl]-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-[4-[3-benzoyl-2-(naphthalen-2-yloxymethyl)-5-phenylmethoxyindol-1-yl]butanoylamino]benzoic acid Traditional Name: 2-[4-[5-benzoxy-3-benzoyl-2-(2-naphthoxymethyl)indol-1-yl]butanoylamino]benzoic acid Formula: C44H36N2O6 MolecularWeight: 688.76644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3C(=O)C4=CC=CC=C4)COC5=CC6=CC=CC=C6C=C5)CCCC(=O)NC7=CC=CC=C7C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3C(=O)C4=CC=CC=C4)COC5=CC6=CC=CC=C6C=C5)CCCC(=O)NC7=CC=CC=C7C(=O)O

InChI

InChI=1S/C44H36N2O6/c47-41(45-38-19-10-9-18-36(38)44(49)50)20-11-25-46-39-24-23-35(51-28-30-12-3-1-4-13-30)27-37(39)42(43(48)32-15-5-2-6-16-32)40(46)29-52-34-22-21-31-14-7-8-17-33(31)26-34/h1-10,12-19,21-24,26-27H,11,20,25,28-29H2,(H,45,47)(H,49,50)