3-(1H-indol-3-yl)-2-[(4-propan-2-yloxyphenyl)carbonylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[(4-propan-2-yloxyphenyl)carbonylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[(4-isopropoxybenzoyl)amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[(4-propan-2-yloxybenzoyl)amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[(4-isopropoxybenzoyl)amino]propionic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C21H22N2O4/c1-13(2)27-16-9-7-14(8-10-16)20(24)23-19(21(25)26)11-15-12-22-18-6-4-3-5-17(15)18/h3-10,12-13,19,22H,11H2,1-2H3,(H,23,24)(H,25,26)