tert-butylcarbamoyl 1-(phenylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Systemtic Name: tert-butylcarbamoyl 1-(phenylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Openeye Name: tert-butylcarbamoyl 1-benzyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate CAS Name: 1-(phenylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid [(tert-butylamino)-oxomethyl] ester IUPAC Name: tert-butylcarbamoyl 1-benzyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Traditional Name: 1-benzyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid tert-butylcarbamoyl ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)OC(=O)C1CC2=CC=CC=C2C(N1)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)OC(=O)C1CC2=CC=CC=C2C(N1)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3/c1-22(2,3)24-21(26)27-20(25)19-14-16-11-7-8-12-17(16)18(23-19)13-15-9-5-4-6-10-15/h4-12,18-19,23H,13-14H2,1-3H3,(H,24,26)