3-[[3-bromanyl-5-methyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[3-bromanyl-5-methyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-bromo-4-[(3-isopropyl-1H-indol-5-yl)oxy]-5-methyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[3-bromo-5-methyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]anilino]-3-oxopropanoic acid IUPAC Name: 3-[3-bromo-5-methyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]anilino]-3-oxopropanoic acid Traditional Name: 3-[3-bromo-4-[(3-isopropyl-1H-indol-5-yl)oxy]-5-methyl-anilino]-3-keto-propionic acid Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC3=C(C=C2)NC=C3C(C)C)Br)NC(=O)CC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC3=C(C=C2)NC=C3C(C)C)Br)NC(=O)CC(=O)O

InChI

InChI=1S/C21H21BrN2O4/c1-11(2)16-10-23-18-5-4-14(8-15(16)18)28-21-12(3)6-13(7-17(21)22)24-19(25)9-20(26)27/h4-8,10-11,23H,9H2,1-3H3,(H,24,25)(H,26,27)