3-[[5-(4-tert-butylphenyl)-1-(4-cyclopentyloxyphenyl)indol-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[5-(4-tert-butylphenyl)-1-(4-cyclopentyloxyphenyl)indol-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[5-(4-tert-butylphenyl)-1-[4-(cyclopentoxy)phenyl]indole-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[5-(4-tert-butylphenyl)-1-(4-cyclopentyloxyphenyl)-2-indolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[5-(4-tert-butylphenyl)-1-(4-cyclopentyloxyphenyl)indole-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[5-(4-tert-butylphenyl)-1-[4-(cyclopentoxy)phenyl]indole-2-carbonyl]amino]propionic acid Formula: C33H36N2O4 MolecularWeight: 524.64994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C(=C3)C(=O)NCCC(=O)O)C4=CC=C(C=C4)OC5CCCC5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C(=C3)C(=O)NCCC(=O)O)C4=CC=C(C=C4)OC5CCCC5

InChI

InChI=1S/C33H36N2O4/c1-33(2,3)25-11-8-22(9-12-25)23-10-17-29-24(20-23)21-30(32(38)34-19-18-31(36)37)35(29)26-13-15-28(16-14-26)39-27-6-4-5-7-27/h8-17,20-21,27H,4-7,18-19H2,1-3H3,(H,34,38)(H,36,37)