3-[[6-bromanyl-7-(4-oxidanyl-3-propan-2-yl-phenoxy)-2,3-dihydro-1H-inden-4-yl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[6-bromanyl-7-(4-oxidanyl-3-propan-2-yl-phenoxy)-2,3-dihydro-1H-inden-4-yl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[6-bromo-7-(4-hydroxy-3-isopropyl-phenoxy)indan-4-yl]amino]-3-oxo-propanoic acid CAS Name: 3-[[6-bromo-7-(4-hydroxy-3-propan-2-ylphenoxy)-2,3-dihydro-1H-inden-4-yl]amino]-3-oxopropanoic acid IUPAC Name: 3-[[6-bromo-7-(4-hydroxy-3-propan-2-ylphenoxy)-2,3-dihydro-1H-inden-4-yl]amino]-3-oxopropanoic acid Traditional Name: 3-[[6-bromo-7-(4-hydroxy-3-isopropyl-phenoxy)indan-4-yl]amino]-3-keto-propionic acid Formula: C21H22BrNO5 MolecularWeight: 448.30708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C3=C2CCC3)NC(=O)CC(=O)O)Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C3=C2CCC3)NC(=O)CC(=O)O)Br)O

InChI

InChI=1S/C21H22BrNO5/c1-11(2)15-8-12(6-7-18(15)24)28-21-14-5-3-4-13(14)17(9-16(21)22)23-19(25)10-20(26)27/h6-9,11,24H,3-5,10H2,1-2H3,(H,23,25)(H,26,27)