tert-butyl 3-[(E)-[4-oxidanylidene-1-(phenylmethyl)piperidin-3-ylidene]methyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(E)-[4-oxidanylidene-1-(phenylmethyl)piperidin-3-ylidene]methyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(E)-(1-benzyl-4-oxo-3-piperidylidene)methyl]indole-1-carboxylate CAS Name: 3-[(E)-[4-oxo-1-(phenylmethyl)-3-piperidinylidene]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(E)-(1-benzyl-4-oxopiperidin-3-ylidene)methyl]indole-1-carboxylate Traditional Name: 3-[(E)-(1-benzyl-4-keto-3-piperidylidene)methyl]indole-1-carboxylic acid tert-butyl ester Formula: C26H28N2O3 MolecularWeight: 416.51212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C=C3CN(CCC3=O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)/C=C/3\CN(CCC3=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3/c1-26(2,3)31-25(30)28-18-20(22-11-7-8-12-23(22)28)15-21-17-27(14-13-24(21)29)16-19-9-5-4-6-10-19/h4-12,15,18H,13-14,16-17H2,1-3H3/b21-15+