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

Systemtic Name: 3-[[3-chloranyl-5-methyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]amino]-2-oxidanylidene-propanoic acid Openeye Name: 3-[3-chloro-4-[(3-isopropyl-1H-indol-5-yl)oxy]-5-methyl-anilino]-2-oxo-propanoic acid CAS Name: 3-[3-chloro-5-methyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]anilino]-2-oxopropanoic acid IUPAC Name: 3-[3-chloro-5-methyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]anilino]-2-oxopropanoic acid Traditional Name: 3-[3-chloro-4-[(3-isopropyl-1H-indol-5-yl)oxy]-5-methyl-anilino]-2-keto-propionic acid Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O4/c1-11(2)16-9-24-18-5-4-14(8-15(16)18)28-20-12(3)6-13(7-17(20)22)23-10-19(25)21(26)27/h4-9,11,23-24H,10H2,1-3H3,(H,26,27)