[(2S)-3-[[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-prop-2-enyl-amino]-2-oxidanyl-propyl] butanoate

Systemtic Name: [(2S)-3-[[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-prop-2-enyl-amino]-2-oxidanyl-propyl] butanoate Openeye Name: [(2S)-3-[allyl-[[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-hydroxy-propyl] butanoate CAS Name: butanoic acid [(2S)-3-[[1-[(4-tert-butylphenyl)methyl]-2-pyrrolyl]methyl-prop-2-enylamino]-2-hydroxypropyl] ester IUPAC Name: [(2S)-3-[[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylamino]-2-hydroxypropyl] butanoate Traditional Name: butyric acid [(2S)-3-[allyl-[[1-(4-tert-butylbenzyl)pyrrol-2-yl]methyl]amino]-2-hydroxy-propyl] ester Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(CN(CC=C)CC1=CC=CN1CC2=CC=C(C=C2)C(C)(C)C)O

Isomeric SMILES

CCCC(=O)OC[C@H](CN(CC=C)CC1=CC=CN1CC2=CC=C(C=C2)C(C)(C)C)O

InChI

InChI=1S/C26H38N2O3/c1-6-9-25(30)31-20-24(29)19-27(15-7-2)18-23-10-8-16-28(23)17-21-11-13-22(14-12-21)26(3,4)5/h7-8,10-14,16,24,29H,2,6,9,15,17-20H2,1,3-5H3/t24-/m0/s1