tert-butyl 3-methanoyl-1-pyrrolidin-2-ylcarbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-methanoyl-1-pyrrolidin-2-ylcarbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-formyl-1-(pyrrolidine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-formyl-1-[oxo(2-pyrrolidinyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-formyl-1-(pyrrolidine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-formyl-1-prolyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CC2=CC=CC=C2C1C(=O)C3CCCN3)C=O

Isomeric SMILES

CC(C)(C)OC(=O)N1C(CC2=CC=CC=C2C1C(=O)C3CCCN3)C=O

InChI

InChI=1S/C20H26N2O4/c1-20(2,3)26-19(25)22-14(12-23)11-13-7-4-5-8-15(13)17(22)18(24)16-9-6-10-21-16/h4-5,7-8,12,14,16-17,21H,6,9-11H2,1-3H3