tert-butyl 5-[1-(phenylmethyl)pyrrolidin-3-yl]oxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 5-[1-(phenylmethyl)pyrrolidin-3-yl]oxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 5-(1-benzylpyrrolidin-3-yl)oxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 5-[[1-(phenylmethyl)-3-pyrrolidinyl]oxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(1-benzylpyrrolidin-3-yl)oxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 5-(1-benzylpyrrolidin-3-yl)oxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC=C2OC3CCN(C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC=C2OC3CCN(C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H32N2O3/c1-25(2,3)30-24(28)27-15-13-22-20(17-27)10-7-11-23(22)29-21-12-14-26(18-21)16-19-8-5-4-6-9-19/h4-11,21H,12-18H2,1-3H3