2-[1-(3-chloranyl-4-methyl-phenyl)-2,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-3-yl]ethanoic acid

Systemtic Name: 2-[1-(3-chloranyl-4-methyl-phenyl)-2,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-3-yl]ethanoic acid Openeye Name: 2-[1-(3-chloro-4-methyl-phenyl)-2,6,6-trimethyl-4-oxo-5,7-dihydroindol-3-yl]acetic acid CAS Name: 2-[1-(3-chloro-4-methylphenyl)-2,6,6-trimethyl-4-oxo-5,7-dihydroindol-3-yl]acetic acid IUPAC Name: 2-[1-(3-chloro-4-methylphenyl)-2,6,6-trimethyl-4-oxo-5,7-dihydroindol-3-yl]acetic acid Traditional Name: 2-[1-(3-chloro-4-methyl-phenyl)-4-keto-2,6,6-trimethyl-5,7-dihydroindol-3-yl]acetic acid Formula: C20H22ClNO3 MolecularWeight: 359.84658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C3=C2CC(CC3=O)(C)C)CC(=O)O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C3=C2CC(CC3=O)(C)C)CC(=O)O)C)Cl

InChI

InChI=1S/C20H22ClNO3/c1-11-5-6-13(7-15(11)21)22-12(2)14(8-18(24)25)19-16(22)9-20(3,4)10-17(19)23/h5-7H,8-10H2,1-4H3,(H,24,25)