tert-butyl 6-phenylmethoxy-1-(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 6-phenylmethoxy-1-(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6-benzyloxy-1-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[oxo-[4-(1-pyrrolidinyl)-1-piperidinyl]methyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-phenylmethoxy-1-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-benzoxy-1-(4-pyrrolidinopiperidine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C31H41N3O4 MolecularWeight: 519.67494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1C(=O)N3CCC(CC3)N4CCCC4)C=CC(=C2)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1C(=O)N3CCC(CC3)N4CCCC4)C=CC(=C2)OCC5=CC=CC=C5

InChI

InChI=1S/C31H41N3O4/c1-31(2,3)38-30(36)34-20-13-24-21-26(37-22-23-9-5-4-6-10-23)11-12-27(24)28(34)29(35)33-18-14-25(15-19-33)32-16-7-8-17-32/h4-6,9-12,21,25,28H,7-8,13-20,22H2,1-3H3