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

Systemtic Name: 3-[[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]amino]-2-oxidanylidene-propanoic acid Openeye Name: 3-[4-[(3-isopropyl-1H-indol-5-yl)oxy]-3,5-dimethyl-anilino]-2-oxo-propanoic acid CAS Name: 3-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]anilino]-2-oxopropanoic acid IUPAC Name: 3-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]anilino]-2-oxopropanoic acid Traditional Name: 3-[4-[(3-isopropyl-1H-indol-5-yl)oxy]-3,5-dimethyl-anilino]-2-keto-propionic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-12(2)18-10-24-19-6-5-16(9-17(18)19)28-21-13(3)7-15(8-14(21)4)23-11-20(25)22(26)27/h5-10,12,23-24H,11H2,1-4H3,(H,26,27)