tert-butyl 2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-oxidanyl-2-oxidanylidene-indol-3-yl]ethanoate

Systemtic Name: tert-butyl 2-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-oxidanyl-2-oxidanylidene-indol-3-yl]ethanoate Openeye Name: tert-butyl 2-[3-hydroxy-1-[(1-isopentylbenzimidazol-2-yl)methyl]-2-oxo-indolin-3-yl]acetate CAS Name: 2-[3-hydroxy-1-[[1-(3-methylbutyl)-2-benzimidazolyl]methyl]-2-oxo-3-indolyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-hydroxy-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxoindol-3-yl]acetate Traditional Name: 2-[3-hydroxy-1-[(1-isoamylbenzimidazol-2-yl)methyl]-2-keto-indolin-3-yl]acetic acid tert-butyl ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4C(C3=O)(CC(=O)OC(C)(C)C)O

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4C(C3=O)(CC(=O)OC(C)(C)C)O

InChI

InChI=1S/C27H33N3O4/c1-18(2)14-15-29-22-13-9-7-11-20(22)28-23(29)17-30-21-12-8-6-10-19(21)27(33,25(30)32)16-24(31)34-26(3,4)5/h6-13,18,33H,14-17H2,1-5H3