(E)-but-2-enoic acid; 2,2,4,6,6-pentamethyl-1-prop-2-enyl-piperidine

Systemtic Name: (E)-but-2-enoic acid; 2,2,4,6,6-pentamethyl-1-prop-2-enyl-piperidine Openeye Name: 1-allyl-2,2,4,6,6-pentamethyl-piperidine; (E)-but-2-enoic acid CAS Name: (E)-2-butenoic acid; 2,2,4,6,6-pentamethyl-1-prop-2-enylpiperidine IUPAC Name: (E)-but-2-enoic acid; 2,2,4,6,6-pentamethyl-1-prop-2-enylpiperidine Traditional Name: 1-allyl-2,2,4,6,6-pentamethyl-piperidine; crotonic acid Formula: C17H31NO2 MolecularWeight: 281.43354

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)O.CC1CC(N(C(C1)(C)C)CC=C)(C)C

Isomeric SMILES

C/C=C/C(=O)O.CC1CC(N(C(C1)(C)C)CC=C)(C)C

InChI

InChI=1S/C13H25N.C4H6O2/c1-7-8-14-12(3,4)9-11(2)10-13(14,5)6;1-2-3-4(5)6/h7,11H,1,8-10H2,2-6H3;2-3H,1H3,(H,5,6)/b;3-2+