7-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 7-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 7-[[3-(tert-butoxycarbonylamino)-2-oxo-pyrrolidin-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 7-[[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-1-pyrrolidinyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 7-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 7-[[3-(tert-butoxycarbonylamino)-2-keto-pyrrolidino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(C1=O)CC2=CC3=C(CCN(C3)C(=O)O)C=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(C1=O)CC2=CC3=C(CCN(C3)C(=O)O)C=C2

InChI

InChI=1S/C20H27N3O5/c1-20(2,3)28-18(25)21-16-7-9-22(17(16)24)11-13-4-5-14-6-8-23(19(26)27)12-15(14)10-13/h4-5,10,16H,6-9,11-12H2,1-3H3,(H,21,25)(H,26,27)