5-[2-methyl-1-[(4-oxidanyl-3-propan-2-yl-phenyl)methyl]indol-3-yl]-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-[2-methyl-1-[(4-oxidanyl-3-propan-2-yl-phenyl)methyl]indol-3-yl]-4-oxidanylidene-pentanoic acid Openeye Name: 5-[1-[(4-hydroxy-3-isopropyl-phenyl)methyl]-2-methyl-indol-3-yl]-4-oxo-pentanoic acid CAS Name: 5-[1-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-methyl-3-indolyl]-4-oxopentanoic acid IUPAC Name: 5-[1-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-methylindol-3-yl]-4-oxopentanoic acid Traditional Name: 5-[1-(4-hydroxy-3-isopropyl-benzyl)-2-methyl-indol-3-yl]-4-keto-valeric acid Formula: C24H27NO4 MolecularWeight: 393.47548

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO4/c1-15(2)20-12-17(8-10-23(20)27)14-25-16(3)21(13-18(26)9-11-24(28)29)19-6-4-5-7-22(19)25/h4-8,10,12,15,27H,9,11,13-14H2,1-3H3,(H,28,29)