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

Systemtic Name: 3-[4-[5-(cyclopentylcarbonylamino)-3-morpholin-4-ylcarbonyl-2-(naphthalen-2-yloxymethyl)indol-1-yl]butanoylamino]benzoic acid Openeye Name: 3-[4-[5-(cyclopentanecarbonylamino)-3-(morpholine-4-carbonyl)-2-(2-naphthyloxymethyl)indol-1-yl]butanoylamino]benzoic acid CAS Name: 3-[[4-[5-[[cyclopentyl(oxo)methyl]amino]-3-[4-morpholinyl(oxo)methyl]-2-(2-naphthalenyloxymethyl)-1-indolyl]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[4-[5-(cyclopentanecarbonylamino)-3-(morpholine-4-carbonyl)-2-(naphthalen-2-yloxymethyl)indol-1-yl]butanoylamino]benzoic acid Traditional Name: 3-[4-[5-(cyclopentanecarbonylamino)-3-(morpholine-4-carbonyl)-2-(2-naphthoxymethyl)indol-1-yl]butanoylamino]benzoic acid Formula: C41H42N4O7 MolecularWeight: 702.79478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC2=CC3=C(C=C2)N(C(=C3C(=O)N4CCOCC4)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)N4CCOCC4)COC5=CC6=CC=CC=C6C=C5)CCCC(=O)NC7=CC=CC(=C7)C(=O)O

InChI

InChI=1S/C41H42N4O7/c46-37(42-31-12-5-11-30(23-31)41(49)50)13-6-18-45-35-17-15-32(43-39(47)28-8-2-3-9-28)25-34(35)38(40(48)44-19-21-51-22-20-44)36(45)26-52-33-16-14-27-7-1-4-10-29(27)24-33/h1,4-5,7,10-12,14-17,23-25,28H,2-3,6,8-9,13,18-22,26H2,(H,42,46)(H,43,47)(H,49,50)