3-pyridin-3-ylpropyl 2-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: 3-pyridin-3-ylpropyl 2-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: 3-(3-pyridyl)propyl 2-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[(tert-butylamino)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 2-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 3-(3-pyridyl)propyl ester Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N1CC2=CC=CC=C2CC1C(=O)OCCCC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)N1CC2=CC=CC=C2CC1C(=O)OCCCC3=CN=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-23(2,3)25-22(28)26-16-19-11-5-4-10-18(19)14-20(26)21(27)29-13-7-9-17-8-6-12-24-15-17/h4-6,8,10-12,15,20H,7,9,13-14,16H2,1-3H3,(H,25,28)