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

Systemtic Name: 4-[[2-[(4-tert-butylphenoxy)methyl]-3-chloranyl-5-(cyclopentylcarbonylamino)indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-[(4-tert-butylphenoxy)methyl]-3-chloro-5-(cyclopentanecarbonylamino)indol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-[(4-tert-butylphenoxy)methyl]-3-chloro-5-[[cyclopentyl(oxo)methyl]amino]-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[[2-[(4-tert-butylphenoxy)methyl]-3-chloro-5-(cyclopentanecarbonylamino)indol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-[(4-tert-butylphenoxy)methyl]-3-chloro-5-(cyclopentanecarbonylamino)indol-1-yl]methyl]benzoic acid Formula: C33H35ClN2O4 MolecularWeight: 559.095

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=C(C3=C(N2CC4=CC=C(C=C4)C(=O)O)C=CC(=C3)NC(=O)C5CCCC5)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=C(C3=C(N2CC4=CC=C(C=C4)C(=O)O)C=CC(=C3)NC(=O)C5CCCC5)Cl

InChI

InChI=1S/C33H35ClN2O4/c1-33(2,3)24-12-15-26(16-13-24)40-20-29-30(34)27-18-25(35-31(37)22-6-4-5-7-22)14-17-28(27)36(29)19-21-8-10-23(11-9-21)32(38)39/h8-18,22H,4-7,19-20H2,1-3H3,(H,35,37)(H,38,39)