tert-butyl 3-butyl-1-prop-2-enyl-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-butyl-1-prop-2-enyl-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-allyl-3-butyl-1H-isoquinoline-2-carboxylate CAS Name: 3-butyl-1-prop-2-enyl-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-butyl-1-prop-2-enyl-1H-isoquinoline-2-carboxylate Traditional Name: 1-allyl-3-butyl-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO2/c1-6-8-13-17-15-16-12-9-10-14-18(16)19(11-7-2)22(17)20(23)24-21(3,4)5/h7,9-10,12,14-15,19H,2,6,8,11,13H2,1,3-5H3