tert-butyl (3S,4E)-4-ethylidene-1-oxidanylidene-3-(phenylmethyl)-3H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S,4E)-4-ethylidene-1-oxidanylidene-3-(phenylmethyl)-3H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S,4E)-3-benzyl-4-ethylidene-1-oxo-3H-isoquinoline-2-carboxylate CAS Name: (3S,4E)-4-ethylidene-1-oxo-3-(phenylmethyl)-3H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4E)-3-benzyl-4-ethylidene-1-oxo-3H-isoquinoline-2-carboxylate Traditional Name: (3S,4E)-3-benzyl-4-ethylidene-1-keto-3H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C23H25NO3 MolecularWeight: 363.4495

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Descriptors Computed from Structure

Canonical SMILES:

CC=C1C(N(C(=O)C2=CC=CC=C21)C(=O)OC(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

C/C=C\1/[C@@H](N(C(=O)C2=CC=CC=C21)C(=O)OC(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C23H25NO3/c1-5-17-18-13-9-10-14-19(18)21(25)24(22(26)27-23(2,3)4)20(17)15-16-11-7-6-8-12-16/h5-14,20H,15H2,1-4H3/b17-5+/t20-/m0/s1