tert-butyl 4-[2-[1-ethyl-4-(4-fluorophenyl)-5-phenyl-2-propan-2-yl-pyrrol-3-yl]ethyl-oxidanyl-amino]-3-oxidanyl-butanoate

Systemtic Name: tert-butyl 4-[2-[1-ethyl-4-(4-fluorophenyl)-5-phenyl-2-propan-2-yl-pyrrol-3-yl]ethyl-oxidanyl-amino]-3-oxidanyl-butanoate Openeye Name: tert-butyl 4-[2-[1-ethyl-4-(4-fluorophenyl)-2-isopropyl-5-phenyl-pyrrol-3-yl]ethyl-hydroxy-amino]-3-hydroxy-butanoate CAS Name: 4-[2-[1-ethyl-4-(4-fluorophenyl)-5-phenyl-2-propan-2-yl-3-pyrrolyl]ethyl-hydroxyamino]-3-hydroxybutanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[1-ethyl-4-(4-fluorophenyl)-5-phenyl-2-propan-2-ylpyrrol-3-yl]ethyl-hydroxyamino]-3-hydroxybutanoate Traditional Name: 4-[2-[1-ethyl-4-(4-fluorophenyl)-2-isopropyl-5-phenyl-pyrrol-3-yl]ethyl-hydroxy-amino]-3-hydroxy-butyric acid tert-butyl ester Formula: C31H41FN2O4 MolecularWeight: 524.666643

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C(C)C)CCN(CC(CC(=O)OC(C)(C)C)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=C(C(=C1C(C)C)CCN(CC(CC(=O)OC(C)(C)C)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C31H41FN2O4/c1-7-34-29(21(2)3)26(17-18-33(37)20-25(35)19-27(36)38-31(4,5)6)28(22-13-15-24(32)16-14-22)30(34)23-11-9-8-10-12-23/h8-16,21,25,35,37H,7,17-20H2,1-6H3