tert-butyl 3-[2-[(3-oxidanylidenecyclohexen-1-yl)amino]ethyl]-2-[(E)-3-oxidanylideneprop-1-enyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[2-[(3-oxidanylidenecyclohexen-1-yl)amino]ethyl]-2-[(E)-3-oxidanylideneprop-1-enyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[2-[(3-oxocyclohexen-1-yl)amino]ethyl]-2-[(E)-3-oxoprop-1-enyl]indole-1-carboxylate CAS Name: 3-[2-[(3-oxo-1-cyclohexenyl)amino]ethyl]-2-[(E)-3-oxoprop-1-enyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-[(3-oxocyclohexen-1-yl)amino]ethyl]-2-[(E)-3-oxoprop-1-enyl]indole-1-carboxylate Traditional Name: 3-[2-[(3-ketocyclohexen-1-yl)amino]ethyl]-2-[(E)-3-ketoprop-1-enyl]indole-1-carboxylic acid tert-butyl ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1C=CC=O)CCNC3=CC(=O)CCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1/C=C/C=O)CCNC3=CC(=O)CCC3

InChI

InChI=1S/C24H28N2O4/c1-24(2,3)30-23(29)26-21-11-5-4-10-19(21)20(22(26)12-7-15-27)13-14-25-17-8-6-9-18(28)16-17/h4-5,7,10-12,15-16,25H,6,8-9,13-14H2,1-3H3/b12-7+