5-[4-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-6-methoxy-indol-3-yl]carbonylphenyl]pentanoic acid

Systemtic Name: 5-[4-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-6-methoxy-indol-3-yl]carbonylphenyl]pentanoic acid Openeye Name: 5-[4-[1-(3,3-dimethyl-2-oxo-butyl)-6-methoxy-indole-3-carbonyl]phenyl]pentanoic acid CAS Name: 5-[4-[[1-(3,3-dimethyl-2-oxobutyl)-6-methoxy-3-indolyl]-oxomethyl]phenyl]pentanoic acid IUPAC Name: 5-[4-[1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindole-3-carbonyl]phenyl]pentanoic acid Traditional Name: 5-[4-[1-(2-keto-3,3-dimethyl-butyl)-6-methoxy-indole-3-carbonyl]phenyl]valeric acid Formula: C27H31NO5 MolecularWeight: 449.53874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C=C(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)CCCCC(=O)O

Isomeric SMILES

CC(C)(C)C(=O)CN1C=C(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)CCCCC(=O)O

InChI

InChI=1S/C27H31NO5/c1-27(2,3)24(29)17-28-16-22(21-14-13-20(33-4)15-23(21)28)26(32)19-11-9-18(10-12-19)7-5-6-8-25(30)31/h9-16H,5-8,17H2,1-4H3,(H,30,31)