ethyl (E)-4-[1-[(2E,4Z)-4-bromanylhexa-2,4-dienyl]pyrrolidin-2-yl]but-2-enoate

Systemtic Name: ethyl (E)-4-[1-[(2E,4Z)-4-bromanylhexa-2,4-dienyl]pyrrolidin-2-yl]but-2-enoate Openeye Name: ethyl (E)-4-[1-[(2E,4Z)-4-bromohexa-2,4-dienyl]pyrrolidin-2-yl]but-2-enoate CAS Name: (E)-4-[1-[(2E,4Z)-4-bromohexa-2,4-dienyl]-2-pyrrolidinyl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[1-[(2E,4Z)-4-bromohexa-2,4-dienyl]pyrrolidin-2-yl]but-2-enoate Traditional Name: (E)-4-[1-[(2E,4Z)-4-bromohexa-2,4-dienyl]pyrrolidin-2-yl]but-2-enoic acid ethyl ester Formula: C16H24BrNO2 MolecularWeight: 342.27126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCC1CCCN1CC=CC(=CC)Br

Isomeric SMILES

CCOC(=O)/C=C/CC1CCCN1C/C=C/C(=C/C)/Br

InChI

InChI=1S/C16H24BrNO2/c1-3-14(17)8-6-12-18-13-7-10-15(18)9-5-11-16(19)20-4-2/h3,5-6,8,11,15H,4,7,9-10,12-13H2,1-2H3/b8-6+,11-5+,14-3-