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

Systemtic Name: 3-[2-methyl-1-[(4-oxidanyl-3-propan-2-yl-phenyl)methyl]indol-3-yl]-2-oxidanylidene-propanoic acid Openeye Name: 3-[1-[(4-hydroxy-3-isopropyl-phenyl)methyl]-2-methyl-indol-3-yl]-2-oxo-propanoic acid CAS Name: 3-[1-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-methyl-3-indolyl]-2-oxopropanoic acid IUPAC Name: 3-[1-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-methylindol-3-yl]-2-oxopropanoic acid Traditional Name: 3-[1-(4-hydroxy-3-isopropyl-benzyl)-2-methyl-indol-3-yl]-2-keto-propionic acid Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC3=CC(=C(C=C3)O)C(C)C)CC(=O)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC3=CC(=C(C=C3)O)C(C)C)CC(=O)C(=O)O

InChI

InChI=1S/C22H23NO4/c1-13(2)17-10-15(8-9-20(17)24)12-23-14(3)18(11-21(25)22(26)27)16-6-4-5-7-19(16)23/h4-10,13,24H,11-12H2,1-3H3,(H,26,27)