tert-butyl (3Z)-3-butylidene-4-prop-2-enyl-1,4-dihydroisoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3Z)-3-butylidene-4-prop-2-enyl-1,4-dihydroisoquinoline-2-carboxylate Openeye Name: tert-butyl (3Z)-4-allyl-3-butylidene-1,4-dihydroisoquinoline-2-carboxylate CAS Name: (3Z)-3-butylidene-4-prop-2-enyl-1,4-dihydroisoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3Z)-3-butylidene-4-prop-2-enyl-1,4-dihydroisoquinoline-2-carboxylate Traditional Name: (3Z)-4-allyl-3-butylidene-1,4-dihydroisoquinoline-2-carboxylic acid tert-butyl ester Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=C1C(C2=CC=CC=C2CN1C(=O)OC(C)(C)C)CC=C

Isomeric SMILES

CCC/C=C\1/C(C2=CC=CC=C2CN1C(=O)OC(C)(C)C)CC=C

InChI

InChI=1S/C21H29NO2/c1-6-8-14-19-18(11-7-2)17-13-10-9-12-16(17)15-22(19)20(23)24-21(3,4)5/h7,9-10,12-14,18H,2,6,8,11,15H2,1,3-5H3/b19-14-