5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 5-[4-(tert-butoxycarbonylamino)-3-pyridyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 5-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 5-[4-(tert-butoxycarbonylamino)-3-pyridyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=NC=C1)C2=C3CCN(CC3=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=NC=C1)C2=C3CCN(CC3=CC=C2)C(=O)O

InChI

InChI=1S/C20H23N3O4/c1-20(2,3)27-18(24)22-17-7-9-21-11-16(17)15-6-4-5-13-12-23(19(25)26)10-8-14(13)15/h4-7,9,11H,8,10,12H2,1-3H3,(H,25,26)(H,21,22,24)