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

Systemtic Name: tert-butyl (3Z)-3-butylidene-4-(phenylmethyl)-1,4-dihydroisoquinoline-2-carboxylate Openeye Name: tert-butyl (3Z)-4-benzyl-3-butylidene-1,4-dihydroisoquinoline-2-carboxylate CAS Name: (3Z)-3-butylidene-4-(phenylmethyl)-1,4-dihydroisoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3Z)-4-benzyl-3-butylidene-1,4-dihydroisoquinoline-2-carboxylate Traditional Name: (3Z)-4-benzyl-3-butylidene-1,4-dihydroisoquinoline-2-carboxylic acid tert-butyl ester Formula: C25H31NO2 MolecularWeight: 377.51914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC=C1C(C2=CC=CC=C2CN1C(=O)OC(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCC/C=C\1/C(C2=CC=CC=C2CN1C(=O)OC(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C25H31NO2/c1-5-6-16-23-22(17-19-12-8-7-9-13-19)21-15-11-10-14-20(21)18-26(23)24(27)28-25(2,3)4/h7-16,22H,5-6,17-18H2,1-4H3/b23-16-