3-(furan-3-yl)-1-[4-[(4-propan-2-ylphenyl)carbonylamino]butyl]indole-6-carboxylic acid

Systemtic Name: 3-(furan-3-yl)-1-[4-[(4-propan-2-ylphenyl)carbonylamino]butyl]indole-6-carboxylic acid Openeye Name: 3-(3-furyl)-1-[4-[(4-isopropylbenzoyl)amino]butyl]indole-6-carboxylic acid CAS Name: 3-(3-furanyl)-1-[4-[[oxo-(4-propan-2-ylphenyl)methyl]amino]butyl]-6-indolecarboxylic acid IUPAC Name: 3-(furan-3-yl)-1-[4-[(4-propan-2-ylbenzoyl)amino]butyl]indole-6-carboxylic acid Traditional Name: 1-[4-(cumoylamino)butyl]-3-(3-furyl)indole-6-carboxylic acid Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NCCCCN2C=C(C3=C2C=C(C=C3)C(=O)O)C4=COC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NCCCCN2C=C(C3=C2C=C(C=C3)C(=O)O)C4=COC=C4

InChI

InChI=1S/C27H28N2O4/c1-18(2)19-5-7-20(8-6-19)26(30)28-12-3-4-13-29-16-24(22-11-14-33-17-22)23-10-9-21(27(31)32)15-25(23)29/h5-11,14-18H,3-4,12-13H2,1-2H3,(H,28,30)(H,31,32)