3-[[6-bromanyl-1-[(4-oxidanyl-3-propan-2-yl-phenyl)methyl]indol-4-yl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[6-bromanyl-1-[(4-oxidanyl-3-propan-2-yl-phenyl)methyl]indol-4-yl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[6-bromo-1-[(4-hydroxy-3-isopropyl-phenyl)methyl]indol-4-yl]amino]-3-oxo-propanoic acid CAS Name: 3-[[6-bromo-1-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-4-indolyl]amino]-3-oxopropanoic acid IUPAC Name: 3-[[6-bromo-1-[(4-hydroxy-3-propan-2-ylphenyl)methyl]indol-4-yl]amino]-3-oxopropanoic acid Traditional Name: 3-[[6-bromo-1-(4-hydroxy-3-isopropyl-benzyl)indol-4-yl]amino]-3-keto-propionic acid Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)CN2C=CC3=C(C=C(C=C32)Br)NC(=O)CC(=O)O)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)CN2C=CC3=C(C=C(C=C32)Br)NC(=O)CC(=O)O)O

InChI

InChI=1S/C21H21BrN2O4/c1-12(2)16-7-13(3-4-19(16)25)11-24-6-5-15-17(8-14(22)9-18(15)24)23-20(26)10-21(27)28/h3-9,12,25H,10-11H2,1-2H3,(H,23,26)(H,27,28)