4-[[3-chloranyl-5-(cyclopentylcarbonylamino)-2-(cyclopropylmethylsulfanylmethyl)indol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[3-chloranyl-5-(cyclopentylcarbonylamino)-2-(cyclopropylmethylsulfanylmethyl)indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[3-chloro-5-(cyclopentanecarbonylamino)-2-(cyclopropylmethylsulfanylmethyl)indol-1-yl]methyl]benzoic acid CAS Name: 4-[[3-chloro-5-[[cyclopentyl(oxo)methyl]amino]-2-[(cyclopropylmethylthio)methyl]-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[[3-chloro-5-(cyclopentanecarbonylamino)-2-(cyclopropylmethylsulfanylmethyl)indol-1-yl]methyl]benzoic acid Traditional Name: 4-[[3-chloro-5-(cyclopentanecarbonylamino)-2-[(cyclopropylmethylthio)methyl]indol-1-yl]methyl]benzoic acid Formula: C27H29ClN2O3S MolecularWeight: 497.04876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC2=CC3=C(C=C2)N(C(=C3Cl)CSCC4CC4)CC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1CCC(C1)C(=O)NC2=CC3=C(C=C2)N(C(=C3Cl)CSCC4CC4)CC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C27H29ClN2O3S/c28-25-22-13-21(29-26(31)19-3-1-2-4-19)11-12-23(22)30(24(25)16-34-15-18-5-6-18)14-17-7-9-20(10-8-17)27(32)33/h7-13,18-19H,1-6,14-16H2,(H,29,31)(H,32,33)