3-methoxy-4-[[5-[2-(morpholin-4-ylcarbonylamino)ethyl]-1-propyl-indol-3-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[5-[2-(morpholin-4-ylcarbonylamino)ethyl]-1-propyl-indol-3-yl]methyl]benzoic acid Openeye Name: 3-methoxy-4-[[5-[2-(morpholine-4-carbonylamino)ethyl]-1-propyl-indol-3-yl]methyl]benzoic acid CAS Name: 3-methoxy-4-[[5-[2-[[4-morpholinyl(oxo)methyl]amino]ethyl]-1-propyl-3-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[5-[2-(morpholine-4-carbonylamino)ethyl]-1-propylindol-3-yl]methyl]benzoic acid Traditional Name: 3-methoxy-4-[[5-[2-(morpholine-4-carbonylamino)ethyl]-1-propyl-indol-3-yl]methyl]benzoic acid Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=C1C=CC(=C2)CCNC(=O)N3CCOCC3)CC4=C(C=C(C=C4)C(=O)O)OC

Isomeric SMILES

CCCN1C=C(C2=C1C=CC(=C2)CCNC(=O)N3CCOCC3)CC4=C(C=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C27H33N3O5/c1-3-10-30-18-22(16-20-5-6-21(26(31)32)17-25(20)34-2)23-15-19(4-7-24(23)30)8-9-28-27(33)29-11-13-35-14-12-29/h4-7,15,17-18H,3,8-14,16H2,1-2H3,(H,28,33)(H,31,32)