tert-butyl 4-[1-(phenylmethyl)-2,3-dihydropyrrolo[3,2-g]isoquinolin-8-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(phenylmethyl)-2,3-dihydropyrrolo[3,2-g]isoquinolin-8-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-(1-benzyl-2,3-dihydropyrrolo[3,2-g]isoquinolin-8-yl)piperidine-1-carboxylate CAS Name: 4-[1-(phenylmethyl)-2,3-dihydropyrrolo[3,2-g]isoquinolin-8-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-benzyl-2,3-dihydropyrrolo[3,2-g]isoquinolin-8-yl)piperidine-1-carboxylate Traditional Name: 4-(1-benzyl-2,3-dihydropyrrol[3,2-g]isoquinolin-8-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C28H33N3O2 MolecularWeight: 443.58052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC=CC3=CC4=C(C=C32)N(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC=CC3=CC4=C(C=C32)N(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H33N3O2/c1-28(2,3)33-27(32)30-14-10-21(11-15-30)26-24-18-25-23(17-22(24)9-13-29-26)12-16-31(25)19-20-7-5-4-6-8-20/h4-9,13,17-18,21H,10-12,14-16,19H2,1-3H3