7-benzamido-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid; tungsten

Systemtic Name: 7-benzamido-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid; tungsten Openeye Name: 7-benzamido-2-[2-(tert-butoxycarbonylamino)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid; tungsten CAS Name: 7-benzamido-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid; tungsten IUPAC Name: 7-benzamido-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid; tungsten Traditional Name: 7-benzamido-2-[2-(tert-butoxycarbonylamino)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid; tungsten Formula: C29H29N3O6W MolecularWeight: 699.39706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC=C1C(=O)N2CC3=C(CC2C(=O)O)C=CC(=C3)NC(=O)C4=CC=CC=C4.[W]

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC=C1C(=O)N2CC3=C(CC2C(=O)O)C=CC(=C3)NC(=O)C4=CC=CC=C4.[W]

InChI

InChI=1S/C29H29N3O6.W/c1-29(2,3)38-28(37)31-23-12-8-7-11-22(23)26(34)32-17-20-15-21(14-13-19(20)16-24(32)27(35)36)30-25(33)18-9-5-4-6-10-18;/h4-15,24H,16-17H2,1-3H3,(H,30,33)(H,31,37)(H,35,36);