tert-butyl 3-butyl-1-(phenylmethyl)-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-butyl-1-(phenylmethyl)-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-benzyl-3-butyl-1H-isoquinoline-2-carboxylate CAS Name: 3-butyl-1-(phenylmethyl)-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-benzyl-3-butyl-1H-isoquinoline-2-carboxylate Traditional Name: 1-benzyl-3-butyl-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C25H31NO2 MolecularWeight: 377.51914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(N1C(=O)OC(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(N1C(=O)OC(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C25H31NO2/c1-5-6-15-21-18-20-14-10-11-16-22(20)23(17-19-12-8-7-9-13-19)26(21)24(27)28-25(2,3)4/h7-14,16,18,23H,5-6,15,17H2,1-4H3