2-butyl-3-chloranyl-imidazole-4-carbaldehyde; tert-butyl 2-cyclopentyl-2-(4-methylphenyl)ethanoate

Systemtic Name: 2-butyl-3-chloranyl-imidazole-4-carbaldehyde; tert-butyl 2-cyclopentyl-2-(4-methylphenyl)ethanoate Openeye Name: 2-butyl-3-chloro-imidazole-4-carbaldehyde; tert-butyl 2-cyclopentyl-2-(p-tolyl)acetate CAS Name: 2-butyl-3-chloro-4-imidazolecarboxaldehyde; 2-cyclopentyl-2-(4-methylphenyl)acetic acid tert-butyl ester IUPAC Name: 2-butyl-3-chloroimidazole-4-carbaldehyde; tert-butyl 2-cyclopentyl-2-(4-methylphenyl)acetate Traditional Name: 2-butyl-3-chloro-imidazole-4-carbaldehyde; 2-cyclopentyl-2-(p-tolyl)acetic acid tert-butyl ester Formula: C26H37ClN2O3 MolecularWeight: 461.03658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1Cl)C=O.CC1=CC=C(C=C1)C(C2CCCC2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=NC=C(N1Cl)C=O.CC1=CC=C(C=C1)C(C2CCCC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H26O2.C8H11ClN2O/c1-13-9-11-15(12-10-13)16(14-7-5-6-8-14)17(19)20-18(2,3)4;1-2-3-4-8-10-5-7(6-12)11(8)9/h9-12,14,16H,5-8H2,1-4H3;5-6H,2-4H2,1H3