tert-butyl 3-[(E)-but-2-enyl]-2-(phenylmethyl)indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(E)-but-2-enyl]-2-(phenylmethyl)indole-1-carboxylate Openeye Name: tert-butyl 2-benzyl-3-[(E)-but-2-enyl]indole-1-carboxylate CAS Name: 3-[(E)-but-2-enyl]-2-(phenylmethyl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-benzyl-3-[(E)-but-2-enyl]indole-1-carboxylate Traditional Name: 2-benzyl-3-[(E)-but-2-enyl]indole-1-carboxylic acid tert-butyl ester Formula: C24H27NO2 MolecularWeight: 361.47668

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC1=C(N(C2=CC=CC=C21)C(=O)OC(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

C/C=C/CC1=C(N(C2=CC=CC=C21)C(=O)OC(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C24H27NO2/c1-5-6-14-20-19-15-10-11-16-21(19)25(23(26)27-24(2,3)4)22(20)17-18-12-8-7-9-13-18/h5-13,15-16H,14,17H2,1-4H3/b6-5+