tert-butyl 3-[(4R,5S)-3-butyl-5-(4-chlorophenyl)-5-methoxycarbonyl-4H-imidazol-4-yl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(4R,5S)-3-butyl-5-(4-chlorophenyl)-5-methoxycarbonyl-4H-imidazol-4-yl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(4R,5S)-3-butyl-5-(4-chlorophenyl)-5-methoxycarbonyl-4H-imidazol-4-yl]indole-1-carboxylate CAS Name: 3-[(4R,5S)-3-butyl-5-(4-chlorophenyl)-5-methoxycarbonyl-4H-imidazol-4-yl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4R,5S)-3-butyl-5-(4-chlorophenyl)-5-methoxycarbonyl-4H-imidazol-4-yl]indole-1-carboxylate Traditional Name: 3-[(4R,5S)-3-butyl-5-carbomethoxy-5-(4-chlorophenyl)-2-imidazolin-4-yl]indole-1-carboxylic acid tert-butyl ester Formula: C28H32ClN3O4 MolecularWeight: 510.02438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC(C1C2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)(C4=CC=C(C=C4)Cl)C(=O)OC

Isomeric SMILES

CCCCN1C=N[C@]([C@H]1C2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)(C4=CC=C(C=C4)Cl)C(=O)OC

InChI

InChI=1S/C28H32ClN3O4/c1-6-7-16-31-18-30-28(25(33)35-5,19-12-14-20(29)15-13-19)24(31)22-17-32(26(34)36-27(2,3)4)23-11-9-8-10-21(22)23/h8-15,17-18,24H,6-7,16H2,1-5H3/t24-,28+/m1/s1