tert-butyl 3-(3-morpholin-4-ylpropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-(3-morpholin-4-ylpropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-(3-morpholinopropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[3-(4-morpholinyl)propylamino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3-morpholin-4-ylpropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-(3-morpholinopropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NCCCN3CCOCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NCCCN3CCOCC3

InChI

InChI=1S/C22H33N3O4/c1-22(2,3)29-21(27)25-16-18-8-5-4-7-17(18)15-19(25)20(26)23-9-6-10-24-11-13-28-14-12-24/h4-5,7-8,19H,6,9-16H2,1-3H3,(H,23,26)