tert-butyl 3-[(E,1R)-4-methoxy-1-naphthalen-1-yl-4-oxidanylidene-but-2-enyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(E,1R)-4-methoxy-1-naphthalen-1-yl-4-oxidanylidene-but-2-enyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(E,1R)-4-methoxy-1-(1-naphthyl)-4-oxo-but-2-enyl]indole-1-carboxylate CAS Name: 3-[(E,1R)-4-methoxy-1-(1-naphthalenyl)-4-oxobut-2-enyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(E,1R)-4-methoxy-1-naphthalen-1-yl-4-oxobut-2-enyl]indole-1-carboxylate Traditional Name: 3-[(E,1R)-4-keto-4-methoxy-1-(1-naphthyl)but-2-enyl]indole-1-carboxylic acid tert-butyl ester Formula: C28H27NO4 MolecularWeight: 441.51828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C(C=CC(=O)OC)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)[C@H](/C=C/C(=O)OC)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C28H27NO4/c1-28(2,3)33-27(31)29-18-24(23-13-7-8-15-25(23)29)22(16-17-26(30)32-4)21-14-9-11-19-10-5-6-12-20(19)21/h5-18,22H,1-4H3/b17-16+/t22-/m1/s1