tert-butyl carbamate; (E)-3-(3-ethyl-1H-indol-5-yl)prop-2-enoic acid

Systemtic Name: tert-butyl carbamate; (E)-3-(3-ethyl-1H-indol-5-yl)prop-2-enoic acid Openeye Name: tert-butyl carbamate; (E)-3-(3-ethyl-1H-indol-5-yl)prop-2-enoic acid CAS Name: carbamic acid tert-butyl ester; (E)-3-(3-ethyl-1H-indol-5-yl)-2-propenoic acid IUPAC Name: tert-butyl carbamate; (E)-3-(3-ethyl-1H-indol-5-yl)prop-2-enoic acid Traditional Name: carbamic acid tert-butyl ester; (E)-3-(3-ethyl-1H-indol-5-yl)acrylic acid Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CNC2=C1C=C(C=C2)C=CC(=O)O.CC(C)(C)OC(=O)N

Isomeric SMILES

CCC1=CNC2=C1C=C(C=C2)/C=C/C(=O)O.CC(C)(C)OC(=O)N

InChI

InChI=1S/C13H13NO2.C5H11NO2/c1-2-10-8-14-12-5-3-9(7-11(10)12)4-6-13(15)16;1-5(2,3)8-4(6)7/h3-8,14H,2H2,1H3,(H,15,16);1-3H3,(H2,6,7)/b6-4+;