3-[4-[5-(cyclopentylcarbonylamino)-2-(naphthalen-2-yloxymethyl)-3-pyrrolidin-1-ylcarbonyl-indol-1-yl]butanoylamino]benzoic acid

Systemtic Name: 3-[4-[5-(cyclopentylcarbonylamino)-2-(naphthalen-2-yloxymethyl)-3-pyrrolidin-1-ylcarbonyl-indol-1-yl]butanoylamino]benzoic acid Openeye Name: 3-[4-[5-(cyclopentanecarbonylamino)-2-(2-naphthyloxymethyl)-3-(pyrrolidine-1-carbonyl)indol-1-yl]butanoylamino]benzoic acid CAS Name: 3-[[4-[5-[[cyclopentyl(oxo)methyl]amino]-2-(2-naphthalenyloxymethyl)-3-[oxo(1-pyrrolidinyl)methyl]-1-indolyl]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[4-[5-(cyclopentanecarbonylamino)-2-(naphthalen-2-yloxymethyl)-3-(pyrrolidine-1-carbonyl)indol-1-yl]butanoylamino]benzoic acid Traditional Name: 3-[4-[5-(cyclopentanecarbonylamino)-2-(2-naphthoxymethyl)-3-(pyrrolidine-1-carbonyl)indol-1-yl]butanoylamino]benzoic acid Formula: C41H42N4O6 MolecularWeight: 686.79538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC2=CC3=C(C=C2)N(C(=C3C(=O)N4CCCC4)COC5=CC6=CC=CC=C6C=C5)CCCC(=O)NC7=CC=CC(=C7)C(=O)O

Isomeric SMILES

C1CCC(C1)C(=O)NC2=CC3=C(C=C2)N(C(=C3C(=O)N4CCCC4)COC5=CC6=CC=CC=C6C=C5)CCCC(=O)NC7=CC=CC(=C7)C(=O)O

InChI

InChI=1S/C41H42N4O6/c46-37(42-31-14-7-13-30(23-31)41(49)50)15-8-22-45-35-19-17-32(43-39(47)28-10-2-3-11-28)25-34(35)38(40(48)44-20-5-6-21-44)36(45)26-51-33-18-16-27-9-1-4-12-29(27)24-33/h1,4,7,9,12-14,16-19,23-25,28H,2-3,5-6,8,10-11,15,20-22,26H2,(H,42,46)(H,43,47)(H,49,50)